REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gru_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 3 A N 1.266 124.082 122.820 -0.005 0.000 2.540 3 A HA 0.507 4.827 4.320 0.000 0.000 0.239 3 A C 0.347 177.930 177.584 -0.003 0.000 1.061 3 A CA 0.475 52.513 52.037 0.001 0.000 0.758 3 A CB -0.133 18.871 19.000 0.006 0.000 0.991 3 A HN 0.635 nan 8.150 nan 0.000 0.502 4 K N 0.812 121.216 120.400 0.005 0.000 2.288 4 K HA 0.522 4.843 4.320 0.000 0.000 0.234 4 K C -1.090 175.529 176.600 0.033 0.000 1.037 4 K CA -0.629 55.659 56.287 0.003 0.000 0.914 4 K CB 1.095 33.595 32.500 0.000 0.000 1.197 4 K HN 0.708 nan 8.250 nan 0.000 0.471 5 D N 0.962 121.393 120.400 0.053 0.000 2.402 5 D HA 0.216 4.856 4.640 0.000 0.000 0.252 5 D C -1.193 175.259 176.300 0.255 0.000 1.294 5 D CA -0.575 53.514 54.000 0.148 0.000 0.948 5 D CB 0.809 41.712 40.800 0.171 0.000 1.202 5 D HN 0.257 nan 8.370 nan 0.000 0.561 6 V N 1.096 121.098 119.914 0.147 0.000 2.481 6 V HA 0.699 4.819 4.120 0.000 0.000 0.286 6 V C -0.313 175.741 176.094 -0.067 0.000 1.042 6 V CA -0.412 61.899 62.300 0.018 0.000 0.928 6 V CB 1.425 33.163 31.823 -0.141 0.000 0.986 6 V HN 0.341 nan 8.190 nan 0.000 0.462 7 K N 3.856 124.091 120.400 -0.274 0.000 2.422 7 K HA 0.707 5.027 4.320 0.000 0.000 0.251 7 K C -1.650 174.734 176.600 -0.360 0.000 0.933 7 K CA -0.359 55.740 56.287 -0.312 0.000 0.798 7 K CB 2.287 34.355 32.500 -0.720 0.000 1.238 7 K HN 0.660 nan 8.250 nan 0.000 0.428 8 F N 0.037 119.921 119.950 -0.110 0.000 2.594 8 F HA 0.507 5.034 4.527 0.000 0.000 0.335 8 F C 1.400 177.155 175.800 -0.075 0.000 1.058 8 F CA -0.210 57.750 58.000 -0.068 0.000 0.981 8 F CB 0.719 39.695 39.000 -0.040 0.000 1.289 8 F HN 0.793 nan 8.300 nan 0.000 0.490 9 G N 1.264 110.168 108.800 0.173 0.000 2.582 9 G HA2 -0.503 3.457 3.960 0.000 0.000 0.369 9 G HA3 -0.503 3.457 3.960 0.000 0.000 0.369 9 G C 1.032 175.945 174.900 0.023 0.000 1.370 9 G CA 1.135 46.279 45.100 0.074 0.000 0.955 9 G HN 0.950 nan 8.290 nan 0.000 0.525 10 N N 0.346 119.052 118.700 0.010 0.000 2.069 10 N HA -0.179 4.561 4.740 0.000 0.000 0.196 10 N C 1.735 177.228 175.510 -0.027 0.000 1.024 10 N CA 2.837 55.883 53.050 -0.007 0.000 0.869 10 N CB -0.345 38.138 38.487 -0.007 0.000 1.035 10 N HN 0.570 nan 8.380 nan 0.000 0.434 11 D N -0.023 120.354 120.400 -0.038 0.000 2.108 11 D HA -0.187 4.453 4.640 0.000 0.000 0.190 11 D C 1.955 178.177 176.300 -0.130 0.000 0.995 11 D CA 1.854 55.807 54.000 -0.079 0.000 0.834 11 D CB -1.081 39.662 40.800 -0.095 0.000 0.967 11 D HN 0.455 nan 8.370 nan 0.000 0.446 12 A N 1.253 123.970 122.820 -0.170 0.000 1.870 12 A HA -0.316 4.004 4.320 0.000 0.000 0.219 12 A C 2.172 179.699 177.584 -0.096 0.000 1.224 12 A CA 2.434 54.337 52.037 -0.223 0.000 0.650 12 A CB -0.785 18.111 19.000 -0.173 0.000 0.836 12 A HN 0.170 nan 8.150 nan 0.000 0.454 13 R N -0.965 119.507 120.500 -0.047 0.000 2.122 13 R HA -0.182 4.158 4.340 0.000 0.000 0.236 13 R C 2.103 178.396 176.300 -0.011 0.000 1.129 13 R CA 1.907 57.998 56.100 -0.016 0.000 0.925 13 R CB -1.134 29.163 30.300 -0.006 0.000 0.850 13 R HN 0.413 nan 8.270 nan 0.000 0.431 14 V N 1.917 121.819 119.914 -0.019 0.000 2.233 14 V HA -0.363 3.757 4.120 0.000 0.000 0.252 14 V C 2.446 178.539 176.094 -0.001 0.000 1.063 14 V CA 1.967 64.260 62.300 -0.011 0.000 1.032 14 V CB -0.552 31.260 31.823 -0.018 0.000 0.645 14 V HN 0.335 nan 8.190 nan 0.000 0.446 15 K N -0.682 119.711 120.400 -0.011 0.000 2.034 15 K HA -0.263 4.057 4.320 0.000 0.000 0.214 15 K C 2.169 178.803 176.600 0.057 0.000 1.051 15 K CA 2.300 58.605 56.287 0.030 0.000 0.931 15 K CB -0.717 31.800 32.500 0.030 0.000 0.715 15 K HN 0.502 nan 8.250 nan 0.000 0.446 16 M N 0.636 120.267 119.600 0.052 0.000 2.106 16 M HA -0.233 4.247 4.480 0.000 0.000 0.259 16 M C 2.130 178.452 176.300 0.038 0.000 1.068 16 M CA 1.463 56.797 55.300 0.057 0.000 1.100 16 M CB -0.117 32.510 32.600 0.044 0.000 1.351 16 M HN 0.101 nan 8.290 nan 0.000 0.404 17 L N 0.528 121.766 121.223 0.025 0.000 2.056 17 L HA -0.154 4.186 4.340 0.000 0.000 0.207 17 L C 2.295 179.177 176.870 0.020 0.000 1.078 17 L CA 1.833 56.685 54.840 0.019 0.000 0.749 17 L CB -0.699 41.367 42.059 0.012 0.000 0.901 17 L HN 0.259 nan 8.230 nan 0.000 0.433 18 R N -0.497 120.017 120.500 0.022 0.000 2.091 18 R HA -0.125 4.215 4.340 0.000 0.000 0.238 18 R C 2.225 178.539 176.300 0.023 0.000 1.136 18 R CA 1.240 57.352 56.100 0.021 0.000 0.959 18 R CB -1.240 29.074 30.300 0.025 0.000 0.856 18 R HN 0.562 nan 8.270 nan 0.000 0.437 19 G N 1.188 110.007 108.800 0.032 0.000 2.514 19 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 19 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 19 G C 1.541 176.453 174.900 0.020 0.000 1.198 19 G CA 1.243 46.361 45.100 0.029 0.000 0.780 19 G HN 0.140 nan 8.290 nan 0.000 0.565 20 V N 1.643 121.569 119.914 0.020 0.000 2.231 20 V HA -0.344 3.776 4.120 0.000 0.000 0.250 20 V C 2.520 178.621 176.094 0.012 0.000 1.058 20 V CA 2.411 64.720 62.300 0.015 0.000 1.022 20 V CB -1.094 30.738 31.823 0.016 0.000 0.640 20 V HN 0.512 nan 8.190 nan 0.000 0.445 21 N N 0.061 118.768 118.700 0.012 0.000 2.037 21 N HA -0.221 4.519 4.740 0.000 0.000 0.196 21 N C 1.757 177.271 175.510 0.007 0.000 1.034 21 N CA 1.770 54.826 53.050 0.009 0.000 0.861 21 N CB -0.420 38.072 38.487 0.009 0.000 1.039 21 N HN 0.343 nan 8.380 nan 0.000 0.427 22 V N 2.179 122.098 119.914 0.008 0.000 2.231 22 V HA -0.253 3.867 4.120 0.000 0.000 0.250 22 V C 2.316 178.412 176.094 0.004 0.000 1.058 22 V CA 1.513 63.817 62.300 0.006 0.000 1.022 22 V CB -0.820 31.007 31.823 0.007 0.000 0.640 22 V HN 0.390 nan 8.190 nan 0.000 0.445 23 L N 0.617 121.843 121.223 0.004 0.000 1.944 23 L HA -0.211 4.129 4.340 0.000 0.000 0.218 23 L C 2.626 179.497 176.870 0.002 0.000 1.075 23 L CA 2.985 57.826 54.840 0.002 0.000 0.767 23 L CB -1.694 40.367 42.059 0.003 0.000 0.890 23 L HN 0.350 nan 8.230 nan 0.000 0.434 24 A N 0.180 123.003 122.820 0.004 0.000 1.882 24 A HA -0.341 3.979 4.320 0.000 0.000 0.220 24 A C 1.891 179.476 177.584 0.002 0.000 1.253 24 A CA 2.535 54.574 52.037 0.004 0.000 0.664 24 A CB -1.277 17.727 19.000 0.006 0.000 0.838 24 A HN 0.642 nan 8.150 nan 0.000 0.460 25 D N -0.237 120.164 120.400 0.002 0.000 2.172 25 D HA -0.114 4.526 4.640 0.000 0.000 0.196 25 D C 2.032 178.331 176.300 -0.001 0.000 0.999 25 D CA 1.734 55.735 54.000 0.001 0.000 0.856 25 D CB -0.503 40.298 40.800 0.001 0.000 0.934 25 D HN 0.525 nan 8.370 nan 0.000 0.453 26 A N -0.009 122.810 122.820 -0.002 0.000 2.119 26 A HA -0.021 4.299 4.320 0.000 0.000 0.217 26 A C 2.259 179.840 177.584 -0.004 0.000 1.153 26 A CA 0.719 52.754 52.037 -0.004 0.000 0.692 26 A CB -0.010 18.987 19.000 -0.005 0.000 0.799 26 A HN 0.184 nan 8.150 nan 0.000 0.458 27 V N -0.504 119.408 119.914 -0.003 0.000 3.125 27 V HA -0.083 4.037 4.120 0.000 0.000 0.249 27 V C 2.091 178.184 176.094 -0.002 0.000 1.113 27 V CA 1.193 63.492 62.300 -0.003 0.000 1.106 27 V CB -0.291 31.531 31.823 -0.002 0.000 0.768 27 V HN 0.468 nan 8.190 nan 0.000 0.468 28 K N 1.266 121.665 120.400 -0.001 0.000 2.001 28 K HA -0.205 4.115 4.320 0.000 0.000 0.214 28 K C 2.182 178.781 176.600 -0.002 0.000 1.050 28 K CA 2.038 58.324 56.287 -0.000 0.000 0.934 28 K CB -0.988 31.512 32.500 -0.000 0.000 0.718 28 K HN 0.475 nan 8.250 nan 0.000 0.443 29 V N 0.642 120.554 119.914 -0.003 0.000 2.402 29 V HA -0.285 3.835 4.120 0.000 0.000 0.264 29 V C 1.844 177.936 176.094 -0.004 0.000 1.112 29 V CA 2.412 64.709 62.300 -0.004 0.000 1.110 29 V CB -1.914 29.906 31.823 -0.005 0.000 0.689 29 V HN 0.534 nan 8.190 nan 0.000 0.459 30 T N -2.270 112.281 114.554 -0.004 0.000 3.260 30 T HA 0.573 4.923 4.350 0.000 0.000 0.254 30 T C -0.263 174.435 174.700 -0.004 0.000 0.951 30 T CA -0.295 61.801 62.100 -0.005 0.000 0.918 30 T CB -0.006 68.858 68.868 -0.007 0.000 1.098 30 T HN 0.416 nan 8.240 nan 0.000 0.563 31 L N 1.858 123.079 121.223 -0.002 0.000 2.287 31 L HA 0.760 5.100 4.340 0.000 0.000 0.287 31 L C 0.458 177.327 176.870 -0.001 0.000 1.022 31 L CA 0.965 55.804 54.840 -0.001 0.000 0.814 31 L CB 0.536 42.596 42.059 0.001 0.000 1.217 31 L HN 0.677 nan 8.230 nan 0.000 0.420 32 G N 4.870 113.669 108.800 -0.002 0.000 2.710 32 G HA2 -0.149 3.811 3.960 0.000 0.000 0.668 32 G HA3 -0.149 3.811 3.960 0.000 0.000 0.668 32 G C -2.235 172.661 174.900 -0.007 0.000 1.320 32 G CA -0.325 44.773 45.100 -0.003 0.000 0.860 32 G HN 0.536 nan 8.290 nan 0.000 0.538 33 P HA -0.101 nan 4.420 nan 0.000 0.216 33 P C 1.030 178.323 177.300 -0.011 0.000 1.150 33 P CA 1.683 64.774 63.100 -0.015 0.000 0.837 33 P CB 0.032 31.717 31.700 -0.025 0.000 0.786 34 K N 0.246 120.642 120.400 -0.007 0.000 2.520 34 K HA 0.230 4.550 4.320 0.000 0.000 0.205 34 K C 1.148 177.746 176.600 -0.002 0.000 1.035 34 K CA -0.332 55.953 56.287 -0.003 0.000 1.188 34 K CB 0.075 32.577 32.500 0.003 0.000 0.894 34 K HN 0.106 nan 8.250 nan 0.000 0.497 35 G N 0.970 109.768 108.800 -0.004 0.000 2.539 35 G HA2 0.194 4.154 3.960 0.000 0.000 0.258 35 G HA3 0.194 4.154 3.960 0.000 0.000 0.258 35 G C -0.198 174.699 174.900 -0.005 0.000 1.202 35 G CA -0.423 44.675 45.100 -0.004 0.000 0.851 35 G HN 0.197 nan 8.290 nan 0.000 0.556 36 R N -0.078 120.419 120.500 -0.005 0.000 2.893 36 R HA 0.374 4.714 4.340 0.000 0.000 0.245 36 R C -0.408 175.887 176.300 -0.008 0.000 1.192 36 R CA -0.969 55.127 56.100 -0.006 0.000 1.077 36 R CB 1.081 31.378 30.300 -0.006 0.000 1.253 36 R HN 0.482 nan 8.270 nan 0.000 0.505 37 N N -0.350 118.345 118.700 -0.009 0.000 2.459 37 N HA 0.445 5.185 4.740 0.000 0.000 0.288 37 N C -0.996 174.507 175.510 -0.012 0.000 1.186 37 N CA -0.449 52.595 53.050 -0.010 0.000 0.917 37 N CB 1.884 40.364 38.487 -0.011 0.000 1.219 37 N HN 0.103 nan 8.380 nan 0.000 0.525 38 V N 0.488 120.394 119.914 -0.014 0.000 2.864 38 V HA 0.504 4.624 4.120 0.000 0.000 0.314 38 V C -0.231 175.851 176.094 -0.020 0.000 1.073 38 V CA -0.828 61.462 62.300 -0.016 0.000 0.956 38 V CB 2.247 34.061 31.823 -0.015 0.000 1.023 38 V HN 0.290 nan 8.190 nan 0.000 0.435 39 V N 4.428 124.327 119.914 -0.025 0.000 2.448 39 V HA 0.492 4.612 4.120 0.000 0.000 0.295 39 V C -0.426 175.642 176.094 -0.042 0.000 1.025 39 V CA -0.467 61.813 62.300 -0.033 0.000 0.859 39 V CB 1.609 33.411 31.823 -0.035 0.000 0.988 39 V HN 0.616 nan 8.190 nan 0.000 0.431 40 L N 3.569 124.761 121.223 -0.052 0.000 2.282 40 L HA 0.523 4.863 4.340 0.000 0.000 0.288 40 L C -0.002 176.800 176.870 -0.113 0.000 1.033 40 L CA -0.477 54.322 54.840 -0.067 0.000 0.807 40 L CB 1.537 43.565 42.059 -0.051 0.000 1.209 40 L HN 0.592 nan 8.230 nan 0.000 0.423 41 D N 3.245 123.566 120.400 -0.131 0.000 2.360 41 D HA 0.307 4.947 4.640 0.000 0.000 0.242 41 D C -0.767 175.320 176.300 -0.354 0.000 1.184 41 D CA 0.217 54.106 54.000 -0.185 0.000 0.930 41 D CB 0.817 41.534 40.800 -0.139 0.000 1.161 41 D HN 0.387 nan 8.370 nan 0.000 0.447 42 K N 0.433 120.546 120.400 -0.478 0.000 2.589 42 K HA 0.152 4.472 4.320 0.000 0.000 0.253 42 K C 0.309 176.503 176.600 -0.678 0.000 0.974 42 K CA -0.421 55.230 56.287 -1.060 0.000 0.835 42 K CB 1.660 33.422 32.500 -1.230 0.000 1.272 42 K HN 0.398 nan 8.250 nan 0.000 0.444 43 S N 2.266 117.660 115.700 -0.509 0.000 2.402 43 S HA -0.123 4.347 4.470 0.000 0.000 0.229 43 S C 1.601 176.291 174.600 0.151 0.000 1.021 43 S CA 0.749 58.935 58.200 -0.023 0.000 0.974 43 S CB -0.485 62.813 63.200 0.162 0.000 0.800 43 S HN 0.456 nan 8.310 nan 0.000 0.484 44 F N 3.052 122.997 119.950 -0.007 0.000 2.036 44 F HA 0.219 4.746 4.527 0.000 0.000 0.303 44 F C 2.234 178.030 175.800 -0.006 0.000 1.294 44 F CA 0.297 58.293 58.000 -0.007 0.000 1.210 44 F CB -1.733 37.262 39.000 -0.008 0.000 0.937 44 F HN 0.425 nan 8.300 nan 0.000 0.538 45 G N -1.329 107.579 108.800 0.181 0.000 3.310 45 G HA2 0.581 4.541 3.960 0.000 0.000 0.176 45 G HA3 0.581 4.541 3.960 0.000 0.000 0.176 45 G C -0.698 174.190 174.900 -0.019 0.000 1.307 45 G CA -0.033 45.106 45.100 0.066 0.000 0.935 45 G HN 0.601 nan 8.290 nan 0.000 0.628 46 A N 0.114 122.923 122.820 -0.018 0.000 2.332 46 A HA 0.697 5.017 4.320 0.000 0.000 0.258 46 A C -2.180 175.355 177.584 -0.080 0.000 1.087 46 A CA -0.785 51.225 52.037 -0.044 0.000 0.802 46 A CB -0.068 18.919 19.000 -0.023 0.000 1.042 46 A HN 0.373 nan 8.150 nan 0.000 0.489 47 P HA 0.235 nan 4.420 nan 0.000 0.271 47 P C -0.273 176.984 177.300 -0.071 0.000 1.233 47 P CA 0.165 63.202 63.100 -0.105 0.000 0.789 47 P CB 0.470 32.119 31.700 -0.085 0.000 0.951 48 T N 1.705 116.217 114.554 -0.071 0.000 2.859 48 T HA 0.563 4.913 4.350 0.000 0.000 0.281 48 T C -0.056 174.624 174.700 -0.033 0.000 1.005 48 T CA -0.300 61.776 62.100 -0.039 0.000 1.025 48 T CB 0.157 69.008 68.868 -0.028 0.000 0.977 48 T HN 0.155 nan 8.240 nan 0.000 0.458 49 I N 2.761 123.318 120.570 -0.021 0.000 2.390 49 I HA 0.448 4.618 4.170 0.000 0.000 0.283 49 I C 0.276 176.385 176.117 -0.014 0.000 1.016 49 I CA -0.495 60.794 61.300 -0.019 0.000 1.151 49 I CB 1.648 39.638 38.000 -0.016 0.000 1.293 49 I HN 0.474 nan 8.210 nan 0.000 0.458 50 T N 3.957 118.502 114.554 -0.014 0.000 2.865 50 T HA 0.375 4.725 4.350 0.000 0.000 0.294 50 T C 0.040 174.733 174.700 -0.012 0.000 1.119 50 T CA -0.490 61.603 62.100 -0.011 0.000 1.007 50 T CB 2.176 71.037 68.868 -0.010 0.000 1.225 50 T HN 0.710 nan 8.240 nan 0.000 0.515 51 K N 0.874 121.268 120.400 -0.011 0.000 2.447 51 K HA 0.201 4.521 4.320 0.000 0.000 0.205 51 K C -0.380 176.213 176.600 -0.012 0.000 1.059 51 K CA -0.237 56.043 56.287 -0.011 0.000 1.065 51 K CB 0.422 32.916 32.500 -0.010 0.000 0.885 51 K HN 0.478 nan 8.250 nan 0.000 0.545 52 D N 0.376 120.768 120.400 -0.014 0.000 2.352 52 D HA 0.096 4.736 4.640 0.000 0.000 0.245 52 D C 1.153 177.443 176.300 -0.016 0.000 1.224 52 D CA 0.131 54.120 54.000 -0.019 0.000 0.879 52 D CB 1.205 41.991 40.800 -0.023 0.000 1.057 52 D HN 0.311 nan 8.370 nan 0.000 0.491 53 G N 3.003 111.795 108.800 -0.015 0.000 2.574 53 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 53 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 53 G C 1.545 176.438 174.900 -0.012 0.000 1.173 53 G CA 0.975 46.068 45.100 -0.011 0.000 0.772 53 G HN 0.497 nan 8.290 nan 0.000 0.585 54 V N 0.633 120.536 119.914 -0.017 0.000 2.343 54 V HA -0.173 3.947 4.120 0.000 0.000 0.247 54 V C 2.981 179.065 176.094 -0.017 0.000 1.051 54 V CA 2.878 65.166 62.300 -0.020 0.000 1.036 54 V CB -0.526 31.279 31.823 -0.029 0.000 0.654 54 V HN 0.376 nan 8.190 nan 0.000 0.451 55 S N -0.356 115.334 115.700 -0.017 0.000 2.374 55 S HA -0.209 4.261 4.470 0.000 0.000 0.227 55 S C 1.830 176.427 174.600 -0.006 0.000 1.037 55 S CA 1.797 59.991 58.200 -0.010 0.000 1.024 55 S CB -0.378 62.816 63.200 -0.010 0.000 0.861 55 S HN 0.515 nan 8.310 nan 0.000 0.456 56 V N 1.939 121.847 119.914 -0.009 0.000 2.244 56 V HA -0.203 3.917 4.120 0.000 0.000 0.244 56 V C 2.626 178.716 176.094 -0.006 0.000 1.042 56 V CA 1.616 63.911 62.300 -0.008 0.000 1.006 56 V CB -1.429 30.389 31.823 -0.009 0.000 0.641 56 V HN 0.543 nan 8.190 nan 0.000 0.446 57 A N 0.543 123.359 122.820 -0.007 0.000 1.883 57 A HA -0.393 3.927 4.320 0.000 0.000 0.222 57 A C 2.242 179.823 177.584 -0.006 0.000 1.339 57 A CA 3.023 55.056 52.037 -0.007 0.000 0.692 57 A CB -0.929 18.065 19.000 -0.010 0.000 0.845 57 A HN 0.563 nan 8.150 nan 0.000 0.467 58 R N -0.743 119.753 120.500 -0.007 0.000 2.165 58 R HA -0.203 4.137 4.340 0.000 0.000 0.254 58 R C 1.816 178.119 176.300 0.005 0.000 1.153 58 R CA 1.616 57.715 56.100 -0.003 0.000 0.971 58 R CB -0.512 29.787 30.300 -0.001 0.000 0.878 58 R HN 0.576 nan 8.270 nan 0.000 0.449 59 E N 0.359 120.563 120.200 0.007 0.000 2.418 59 E HA -0.039 4.311 4.350 0.000 0.000 0.197 59 E C 0.383 176.984 176.600 0.002 0.000 1.026 59 E CA 0.443 56.848 56.400 0.009 0.000 0.862 59 E CB 0.079 29.781 29.700 0.003 0.000 0.799 59 E HN 0.245 nan 8.360 nan 0.000 0.518 60 I N 1.795 122.364 120.570 -0.001 0.000 2.396 60 I HA 0.171 4.341 4.170 0.000 0.000 0.289 60 I C 0.361 176.476 176.117 -0.003 0.000 1.056 60 I CA -0.050 61.248 61.300 -0.003 0.000 1.365 60 I CB 0.334 38.332 38.000 -0.003 0.000 1.407 60 I HN -0.087 nan 8.210 nan 0.000 0.509 61 E N 6.050 126.248 120.200 -0.004 0.000 2.278 61 E HA 0.488 4.838 4.350 0.000 0.000 0.272 61 E C -1.771 174.825 176.600 -0.007 0.000 0.890 61 E CA -0.706 55.690 56.400 -0.007 0.000 0.770 61 E CB 1.896 31.592 29.700 -0.006 0.000 1.212 61 E HN 0.244 nan 8.360 nan 0.000 0.415 62 L N 3.408 124.626 121.223 -0.008 0.000 2.334 62 L HA 0.300 4.640 4.340 0.000 0.000 0.275 62 L C 1.431 178.295 176.870 -0.011 0.000 1.036 62 L CA 0.127 54.964 54.840 -0.005 0.000 0.807 62 L CB 1.302 43.363 42.059 0.003 0.000 1.231 62 L HN 0.777 nan 8.230 nan 0.000 0.438 63 E N 0.521 120.717 120.200 -0.006 0.000 2.047 63 E HA -0.190 4.160 4.350 0.000 0.000 0.191 63 E C -0.179 176.413 176.600 -0.013 0.000 0.987 63 E CA 0.727 57.121 56.400 -0.010 0.000 0.799 63 E CB 0.219 29.917 29.700 -0.003 0.000 0.752 63 E HN 0.760 nan 8.360 nan 0.000 0.449 64 D N 0.498 120.901 120.400 0.005 0.000 2.412 64 D HA -0.061 4.579 4.640 0.000 0.000 0.257 64 D C 0.905 177.191 176.300 -0.024 0.000 1.217 64 D CA 0.034 54.046 54.000 0.020 0.000 0.897 64 D CB 0.680 41.519 40.800 0.066 0.000 1.132 64 D HN -0.082 nan 8.370 nan 0.000 0.493 65 K N 3.279 123.613 120.400 -0.109 0.000 2.074 65 K HA -0.188 4.132 4.320 0.000 0.000 0.209 65 K C 1.590 178.005 176.600 -0.309 0.000 1.048 65 K CA 1.368 57.497 56.287 -0.264 0.000 0.926 65 K CB -0.354 31.877 32.500 -0.447 0.000 0.713 65 K HN 0.533 nan 8.250 nan 0.000 0.444 66 F N 1.214 121.155 119.950 -0.014 0.000 2.118 66 F HA -0.020 4.507 4.527 0.000 0.000 0.293 66 F C 2.445 178.238 175.800 -0.012 0.000 1.102 66 F CA 0.851 58.841 58.000 -0.017 0.000 1.247 66 F CB -0.578 38.412 39.000 -0.016 0.000 1.017 66 F HN 0.085 nan 8.300 nan 0.000 0.475 67 E N 0.243 120.549 120.200 0.177 0.000 2.070 67 E HA -0.305 4.045 4.350 0.000 0.000 0.197 67 E C 1.905 178.536 176.600 0.052 0.000 1.004 67 E CA 1.577 58.035 56.400 0.096 0.000 0.805 67 E CB -0.373 29.370 29.700 0.071 0.000 0.744 67 E HN 0.303 nan 8.360 nan 0.000 0.451 68 N N 0.535 119.249 118.700 0.022 0.000 2.069 68 N HA -0.200 4.540 4.740 0.000 0.000 0.191 68 N C 1.763 177.269 175.510 -0.006 0.000 1.031 68 N CA 1.650 54.697 53.050 -0.006 0.000 0.852 68 N CB -0.067 38.399 38.487 -0.035 0.000 1.018 68 N HN 0.081 nan 8.380 nan 0.000 0.423 69 M N -0.488 119.105 119.600 -0.011 0.000 2.110 69 M HA -0.134 4.346 4.480 0.000 0.000 0.257 69 M C 2.287 178.597 176.300 0.017 0.000 1.071 69 M CA 2.022 57.319 55.300 -0.004 0.000 1.096 69 M CB -1.038 31.566 32.600 0.007 0.000 1.300 69 M HN 0.383 nan 8.290 nan 0.000 0.411 70 G N -0.230 108.594 108.800 0.039 0.000 2.469 70 G HA2 -0.192 3.768 3.960 0.000 0.000 0.219 70 G HA3 -0.192 3.768 3.960 0.000 0.000 0.219 70 G C 1.602 176.513 174.900 0.018 0.000 1.150 70 G CA 1.257 46.376 45.100 0.033 0.000 0.763 70 G HN 0.583 nan 8.290 nan 0.000 0.561 71 A N -0.151 122.678 122.820 0.015 0.000 1.873 71 A HA -0.047 4.273 4.320 0.000 0.000 0.215 71 A C 2.346 179.931 177.584 0.000 0.000 1.186 71 A CA 1.834 53.875 52.037 0.007 0.000 0.616 71 A CB -0.389 18.614 19.000 0.005 0.000 0.823 71 A HN 0.297 nan 8.150 nan 0.000 0.442 72 Q N -0.802 118.995 119.800 -0.004 0.000 2.368 72 Q HA -0.106 4.234 4.340 0.000 0.000 0.210 72 Q C 1.960 177.953 176.000 -0.011 0.000 0.982 72 Q CA 1.240 57.037 55.803 -0.011 0.000 0.884 72 Q CB -0.349 28.378 28.738 -0.018 0.000 0.933 72 Q HN 0.789 nan 8.270 nan 0.000 0.460 73 M N -0.752 118.846 119.600 -0.004 0.000 2.224 73 M HA -0.106 4.374 4.480 0.000 0.000 0.253 73 M C 2.278 178.576 176.300 -0.004 0.000 1.115 73 M CA 0.973 56.270 55.300 -0.004 0.000 1.168 73 M CB -0.483 32.119 32.600 0.004 0.000 1.288 73 M HN 0.035 nan 8.290 nan 0.000 0.446 74 V N -0.002 119.914 119.914 0.003 0.000 2.313 74 V HA -0.360 3.760 4.120 0.000 0.000 0.253 74 V C 2.166 178.259 176.094 -0.002 0.000 1.070 74 V CA 2.462 64.765 62.300 0.005 0.000 1.057 74 V CB -1.554 30.275 31.823 0.009 0.000 0.653 74 V HN 0.553 nan 8.190 nan 0.000 0.450 75 K N 0.627 121.023 120.400 -0.007 0.000 2.189 75 K HA -0.345 3.975 4.320 0.000 0.000 0.207 75 K C 2.276 178.862 176.600 -0.025 0.000 1.046 75 K CA 2.396 58.675 56.287 -0.013 0.000 0.928 75 K CB -0.297 32.194 32.500 -0.015 0.000 0.720 75 K HN 0.758 nan 8.250 nan 0.000 0.458 76 E N 0.188 120.369 120.200 -0.031 0.000 2.208 76 E HA -0.133 4.217 4.350 0.000 0.000 0.193 76 E C 1.877 178.435 176.600 -0.071 0.000 0.988 76 E CA 0.877 57.244 56.400 -0.055 0.000 0.828 76 E CB 0.109 29.775 29.700 -0.057 0.000 0.763 76 E HN 0.332 nan 8.360 nan 0.000 0.478 77 V N 0.148 120.043 119.914 -0.032 0.000 2.270 77 V HA -0.150 3.970 4.120 0.000 0.000 0.245 77 V C 2.250 178.340 176.094 -0.006 0.000 1.043 77 V CA 1.996 64.293 62.300 -0.005 0.000 1.014 77 V CB -0.595 31.256 31.823 0.047 0.000 0.645 77 V HN 0.305 nan 8.190 nan 0.000 0.447 78 A N -0.041 122.777 122.820 -0.003 0.000 1.948 78 A HA -0.254 4.066 4.320 0.000 0.000 0.220 78 A C 2.588 180.157 177.584 -0.025 0.000 1.177 78 A CA 2.844 54.880 52.037 -0.003 0.000 0.636 78 A CB -1.214 17.782 19.000 -0.006 0.000 0.815 78 A HN 0.784 nan 8.150 nan 0.000 0.449 79 S N -0.960 114.708 115.700 -0.052 0.000 2.336 79 S HA -0.168 4.302 4.470 0.000 0.000 0.214 79 S C 2.211 176.740 174.600 -0.119 0.000 1.032 79 S CA 1.599 59.754 58.200 -0.075 0.000 1.001 79 S CB -0.348 62.804 63.200 -0.079 0.000 0.953 79 S HN 0.392 nan 8.310 nan 0.000 0.430 80 K N 1.521 121.790 120.400 -0.219 0.000 2.089 80 K HA -0.075 4.245 4.320 0.000 0.000 0.210 80 K C 2.229 178.633 176.600 -0.326 0.000 1.048 80 K CA 1.636 57.661 56.287 -0.436 0.000 0.926 80 K CB -1.266 30.722 32.500 -0.853 0.000 0.714 80 K HN 0.460 nan 8.250 nan 0.000 0.448 81 A N 1.117 123.883 122.820 -0.090 0.000 1.948 81 A HA -0.234 4.086 4.320 0.000 0.000 0.220 81 A C 2.107 179.750 177.584 0.099 0.000 1.177 81 A CA 2.112 54.271 52.037 0.203 0.000 0.636 81 A CB -0.735 18.361 19.000 0.160 0.000 0.815 81 A HN 0.618 nan 8.150 nan 0.000 0.449 82 N N -0.852 117.853 118.700 0.008 0.000 2.171 82 N HA -0.151 4.589 4.740 0.000 0.000 0.184 82 N C 0.951 176.456 175.510 -0.008 0.000 1.021 82 N CA 1.124 54.163 53.050 -0.018 0.000 0.854 82 N CB -0.107 38.352 38.487 -0.046 0.000 0.994 82 N HN 0.436 nan 8.380 nan 0.000 0.426 83 D N 0.731 121.121 120.400 -0.017 0.000 2.178 83 D HA -0.097 4.543 4.640 0.000 0.000 0.202 83 D C 1.797 178.132 176.300 0.058 0.000 0.974 83 D CA 0.677 54.678 54.000 0.000 0.000 0.841 83 D CB -0.132 40.643 40.800 -0.042 0.000 0.953 83 D HN 0.366 nan 8.370 nan 0.000 0.478 84 A N 1.132 124.018 122.820 0.110 0.000 1.832 84 A HA 0.128 4.448 4.320 0.000 0.000 0.214 84 A C 1.894 179.558 177.584 0.134 0.000 1.200 84 A CA 2.143 54.293 52.037 0.189 0.000 0.610 84 A CB -0.197 19.043 19.000 0.398 0.000 0.842 84 A HN 0.244 nan 8.150 nan 0.000 0.444 85 A N -2.278 120.613 122.820 0.118 0.000 2.568 85 A HA 0.495 4.815 4.320 0.000 0.000 0.287 85 A C 1.196 178.821 177.584 0.068 0.000 0.967 85 A CA 0.821 52.921 52.037 0.106 0.000 1.004 85 A CB -0.750 18.300 19.000 0.084 0.000 1.233 85 A HN 1.985 nan 8.150 nan 0.000 0.513 86 G N 0.284 109.082 108.800 -0.003 0.000 2.441 86 G HA2 -0.093 3.867 3.960 0.000 0.000 0.298 86 G HA3 -0.093 3.867 3.960 0.000 0.000 0.298 86 G C -0.156 174.645 174.900 -0.165 0.000 0.949 86 G CA 1.140 46.123 45.100 -0.195 0.000 1.072 86 G HN 0.885 nan 8.290 nan 0.000 0.512 87 D N -2.592 117.775 120.400 -0.055 0.000 2.912 87 D HA 0.495 5.135 4.640 0.000 0.000 0.263 87 D C 0.862 177.163 176.300 0.002 0.000 1.152 87 D CA 1.203 55.184 54.000 -0.031 0.000 0.728 87 D CB 0.176 40.967 40.800 -0.015 0.000 1.337 87 D HN 1.333 nan 8.370 nan 0.000 0.435 88 G N 0.494 109.296 108.800 0.002 0.000 2.199 88 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 88 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 88 G C 1.153 176.064 174.900 0.019 0.000 0.982 88 G CA 1.612 46.720 45.100 0.013 0.000 0.632 88 G HN 1.118 nan 8.290 nan 0.000 0.529 89 T N -0.803 113.758 114.554 0.012 0.000 2.565 89 T HA -0.268 4.082 4.350 0.000 0.000 0.265 89 T C 2.244 176.951 174.700 0.012 0.000 1.082 89 T CA 3.003 65.110 62.100 0.013 0.000 1.173 89 T CB -1.402 67.463 68.868 -0.006 0.000 0.864 89 T HN 0.605 nan 8.240 nan 0.000 0.425 90 T N 2.013 116.570 114.554 0.004 0.000 2.607 90 T HA -0.180 4.170 4.350 0.000 0.000 0.267 90 T C 2.300 177.005 174.700 0.009 0.000 1.049 90 T CA 2.196 64.298 62.100 0.004 0.000 1.162 90 T CB -1.406 67.462 68.868 -0.000 0.000 0.863 90 T HN 0.614 nan 8.240 nan 0.000 0.424 91 T N 2.328 116.888 114.554 0.010 0.000 2.624 91 T HA -0.201 4.149 4.350 0.000 0.000 0.268 91 T C 2.349 177.059 174.700 0.018 0.000 1.041 91 T CA 1.571 63.678 62.100 0.012 0.000 1.159 91 T CB -0.916 67.958 68.868 0.011 0.000 0.863 91 T HN 0.502 nan 8.240 nan 0.000 0.434 92 A N 1.596 124.432 122.820 0.027 0.000 1.859 92 A HA -0.243 4.077 4.320 0.000 0.000 0.218 92 A C 2.581 180.186 177.584 0.034 0.000 1.209 92 A CA 2.757 54.818 52.037 0.041 0.000 0.639 92 A CB -1.666 17.375 19.000 0.068 0.000 0.835 92 A HN 0.506 nan 8.150 nan 0.000 0.450 93 T N -0.141 114.429 114.554 0.028 0.000 2.624 93 T HA -0.240 4.110 4.350 0.000 0.000 0.266 93 T C 1.832 176.542 174.700 0.017 0.000 1.050 93 T CA 2.052 64.164 62.100 0.021 0.000 1.163 93 T CB -0.867 68.009 68.868 0.013 0.000 0.861 93 T HN 0.197 nan 8.240 nan 0.000 0.443 94 V N 1.420 121.342 119.914 0.014 0.000 2.317 94 V HA -0.218 3.902 4.120 0.000 0.000 0.251 94 V C 2.499 178.601 176.094 0.013 0.000 1.065 94 V CA 1.782 64.088 62.300 0.011 0.000 1.049 94 V CB -0.764 31.065 31.823 0.009 0.000 0.651 94 V HN 0.465 nan 8.190 nan 0.000 0.450 95 L N -0.391 120.842 121.223 0.016 0.000 2.083 95 L HA -0.158 4.182 4.340 0.000 0.000 0.209 95 L C 2.710 179.591 176.870 0.018 0.000 1.083 95 L CA 1.456 56.306 54.840 0.016 0.000 0.752 95 L CB -0.814 41.255 42.059 0.018 0.000 0.899 95 L HN 0.379 nan 8.230 nan 0.000 0.433 96 A N 0.106 122.939 122.820 0.022 0.000 1.835 96 A HA -0.313 4.007 4.320 0.000 0.000 0.215 96 A C 2.164 179.759 177.584 0.017 0.000 1.199 96 A CA 1.943 53.993 52.037 0.023 0.000 0.615 96 A CB -0.780 18.235 19.000 0.026 0.000 0.838 96 A HN 0.441 nan 8.150 nan 0.000 0.444 97 Q N 0.324 120.133 119.800 0.015 0.000 2.065 97 Q HA -0.243 4.097 4.340 0.000 0.000 0.213 97 Q C 1.943 177.949 176.000 0.011 0.000 1.012 97 Q CA 3.390 59.200 55.803 0.012 0.000 0.876 97 Q CB -0.975 27.769 28.738 0.010 0.000 0.954 97 Q HN 0.606 nan 8.270 nan 0.000 0.413 98 A N 0.400 123.227 122.820 0.011 0.000 1.842 98 A HA -0.202 4.118 4.320 0.000 0.000 0.217 98 A C 2.301 179.891 177.584 0.010 0.000 1.206 98 A CA 2.019 54.062 52.037 0.009 0.000 0.630 98 A CB -1.145 17.860 19.000 0.009 0.000 0.839 98 A HN 0.552 nan 8.150 nan 0.000 0.447 99 I N -0.155 120.422 120.570 0.012 0.000 2.087 99 I HA -0.352 3.818 4.170 0.000 0.000 0.240 99 I C 2.437 178.561 176.117 0.012 0.000 1.054 99 I CA 1.978 63.285 61.300 0.012 0.000 1.311 99 I CB -0.565 37.444 38.000 0.015 0.000 1.024 99 I HN 0.380 nan 8.210 nan 0.000 0.402 100 I N 0.254 120.832 120.570 0.013 0.000 2.118 100 I HA -0.344 3.826 4.170 0.000 0.000 0.241 100 I C 2.609 178.732 176.117 0.011 0.000 1.070 100 I CA 1.951 63.259 61.300 0.013 0.000 1.327 100 I CB -0.993 37.016 38.000 0.014 0.000 1.034 100 I HN 0.310 nan 8.210 nan 0.000 0.405 101 T N 0.489 115.049 114.554 0.010 0.000 2.536 101 T HA -0.242 4.108 4.350 0.000 0.000 0.263 101 T C 1.820 176.525 174.700 0.007 0.000 1.115 101 T CA 1.791 63.896 62.100 0.008 0.000 1.180 101 T CB -0.367 68.505 68.868 0.007 0.000 0.864 101 T HN 0.321 nan 8.240 nan 0.000 0.419 102 E N 0.703 120.907 120.200 0.007 0.000 2.033 102 E HA -0.121 4.229 4.350 0.000 0.000 0.199 102 E C 2.530 179.135 176.600 0.007 0.000 1.011 102 E CA 1.511 57.915 56.400 0.006 0.000 0.815 102 E CB -1.247 28.456 29.700 0.007 0.000 0.755 102 E HN 0.573 nan 8.360 nan 0.000 0.451 103 G N 2.027 110.832 108.800 0.008 0.000 2.631 103 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 103 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 103 G C 1.759 176.664 174.900 0.008 0.000 1.214 103 G CA 1.474 46.580 45.100 0.009 0.000 0.785 103 G HN 0.234 nan 8.290 nan 0.000 0.596 104 L N 0.295 121.523 121.223 0.008 0.000 2.051 104 L HA -0.188 4.152 4.340 0.000 0.000 0.214 104 L C 2.882 179.755 176.870 0.006 0.000 1.076 104 L CA 1.961 56.805 54.840 0.008 0.000 0.758 104 L CB -0.477 41.586 42.059 0.007 0.000 0.890 104 L HN 0.307 nan 8.230 nan 0.000 0.433 105 K N 0.143 120.546 120.400 0.005 0.000 2.103 105 K HA -0.200 4.120 4.320 0.000 0.000 0.207 105 K C 2.078 178.681 176.600 0.004 0.000 1.048 105 K CA 1.400 57.689 56.287 0.004 0.000 0.930 105 K CB -0.029 32.473 32.500 0.004 0.000 0.716 105 K HN 0.319 nan 8.250 nan 0.000 0.444 106 A N 0.263 123.086 122.820 0.005 0.000 1.970 106 A HA -0.041 4.279 4.320 0.000 0.000 0.216 106 A C 2.118 179.705 177.584 0.005 0.000 1.170 106 A CA 1.040 53.080 52.037 0.005 0.000 0.645 106 A CB -0.242 18.762 19.000 0.006 0.000 0.816 106 A HN 0.147 nan 8.150 nan 0.000 0.447 107 V N -0.059 119.859 119.914 0.006 0.000 2.427 107 V HA -0.203 3.917 4.120 0.000 0.000 0.248 107 V C 2.988 179.085 176.094 0.006 0.000 1.051 107 V CA 1.742 64.047 62.300 0.007 0.000 1.048 107 V CB -1.156 30.673 31.823 0.009 0.000 0.666 107 V HN 0.571 nan 8.190 nan 0.000 0.456 108 A N 0.133 122.956 122.820 0.005 0.000 2.019 108 A HA -0.035 4.285 4.320 0.000 0.000 0.219 108 A C 2.328 179.913 177.584 0.002 0.000 1.164 108 A CA 1.697 53.736 52.037 0.003 0.000 0.644 108 A CB -0.579 18.422 19.000 0.002 0.000 0.805 108 A HN 0.570 nan 8.150 nan 0.000 0.449 109 A N -1.637 121.184 122.820 0.003 0.000 2.121 109 A HA 0.357 4.677 4.320 0.000 0.000 0.218 109 A C 1.775 179.360 177.584 0.002 0.000 1.154 109 A CA 1.429 53.467 52.037 0.002 0.000 0.679 109 A CB -0.831 18.170 19.000 0.003 0.000 0.795 109 A HN 1.913 nan 8.150 nan 0.000 0.458 110 G N -1.927 106.875 108.800 0.003 0.000 2.141 110 G HA2 -0.175 3.785 3.960 0.000 0.000 0.195 110 G HA3 -0.175 3.785 3.960 0.000 0.000 0.195 110 G C -0.021 174.881 174.900 0.004 0.000 1.012 110 G CA 0.158 45.260 45.100 0.003 0.000 0.696 110 G HN 0.359 nan 8.290 nan 0.000 0.508 111 M N -0.003 119.600 119.600 0.005 0.000 2.444 111 M HA 0.372 4.852 4.480 0.000 0.000 0.319 111 M C 0.556 176.860 176.300 0.007 0.000 1.183 111 M CA -0.931 54.372 55.300 0.006 0.000 1.032 111 M CB 1.029 33.633 32.600 0.006 0.000 1.569 111 M HN 0.171 nan 8.290 nan 0.000 0.468 112 N N 1.831 120.536 118.700 0.007 0.000 2.431 112 N HA 0.130 4.870 4.740 0.000 0.000 0.265 112 N C -2.267 173.249 175.510 0.010 0.000 1.184 112 N CA -1.212 51.843 53.050 0.009 0.000 0.943 112 N CB 0.886 39.378 38.487 0.008 0.000 1.080 112 N HN 0.205 nan 8.380 nan 0.000 0.477 113 P HA -0.176 nan 4.420 nan 0.000 0.215 113 P C 1.362 178.669 177.300 0.012 0.000 1.157 113 P CA 1.107 64.215 63.100 0.012 0.000 0.868 113 P CB 0.067 31.776 31.700 0.014 0.000 0.788 114 M N -0.345 119.263 119.600 0.013 0.000 2.144 114 M HA -0.188 4.292 4.480 0.000 0.000 0.260 114 M C 1.164 177.471 176.300 0.011 0.000 1.067 114 M CA 1.826 57.133 55.300 0.012 0.000 1.095 114 M CB -1.119 31.488 32.600 0.012 0.000 1.365 114 M HN -0.167 nan 8.290 nan 0.000 0.406 115 D N -0.766 119.640 120.400 0.010 0.000 2.194 115 D HA -0.040 4.600 4.640 0.000 0.000 0.204 115 D C 2.092 178.397 176.300 0.009 0.000 0.964 115 D CA 0.976 54.981 54.000 0.009 0.000 0.846 115 D CB -0.172 40.633 40.800 0.008 0.000 0.962 115 D HN 0.386 nan 8.370 nan 0.000 0.490 116 L N 0.928 122.156 121.223 0.009 0.000 2.012 116 L HA -0.200 4.140 4.340 0.000 0.000 0.210 116 L C 2.571 179.447 176.870 0.010 0.000 1.073 116 L CA 1.232 56.077 54.840 0.009 0.000 0.748 116 L CB -0.429 41.636 42.059 0.009 0.000 0.891 116 L HN -0.015 nan 8.230 nan 0.000 0.431 117 K N 0.456 120.863 120.400 0.011 0.000 2.000 117 K HA -0.245 4.075 4.320 0.000 0.000 0.218 117 K C 2.287 178.894 176.600 0.011 0.000 1.053 117 K CA 1.809 58.104 56.287 0.012 0.000 0.946 117 K CB -0.102 32.406 32.500 0.013 0.000 0.723 117 K HN 0.155 nan 8.250 nan 0.000 0.446 118 R N -0.401 120.105 120.500 0.010 0.000 2.112 118 R HA -0.165 4.175 4.340 0.000 0.000 0.242 118 R C 2.556 178.861 176.300 0.008 0.000 1.137 118 R CA 1.607 57.712 56.100 0.009 0.000 0.944 118 R CB -1.060 29.245 30.300 0.008 0.000 0.857 118 R HN 0.507 nan 8.270 nan 0.000 0.435 119 G N 1.636 110.441 108.800 0.008 0.000 2.505 119 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 119 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 119 G C 1.504 176.408 174.900 0.007 0.000 1.145 119 G CA 1.080 46.184 45.100 0.007 0.000 0.761 119 G HN 0.213 nan 8.290 nan 0.000 0.571 120 I N 0.760 121.334 120.570 0.008 0.000 2.133 120 I HA -0.133 4.037 4.170 0.000 0.000 0.238 120 I C 2.443 178.564 176.117 0.007 0.000 1.074 120 I CA 1.359 62.664 61.300 0.008 0.000 1.342 120 I CB -0.396 37.611 38.000 0.011 0.000 1.053 120 I HN 0.085 nan 8.210 nan 0.000 0.404 121 D N 1.174 121.579 120.400 0.009 0.000 2.126 121 D HA -0.272 4.368 4.640 0.000 0.000 0.190 121 D C 2.022 178.324 176.300 0.005 0.000 1.001 121 D CA 1.660 55.665 54.000 0.008 0.000 0.841 121 D CB -0.301 40.505 40.800 0.010 0.000 0.949 121 D HN 0.332 nan 8.370 nan 0.000 0.446 122 K N 0.875 121.278 120.400 0.005 0.000 1.991 122 K HA -0.145 4.175 4.320 0.000 0.000 0.212 122 K C 2.190 178.791 176.600 0.002 0.000 1.049 122 K CA 1.527 57.816 56.287 0.003 0.000 0.932 122 K CB -0.217 32.286 32.500 0.004 0.000 0.717 122 K HN 0.015 nan 8.250 nan 0.000 0.441 123 A N 0.615 123.437 122.820 0.003 0.000 2.009 123 A HA -0.185 4.135 4.320 0.000 0.000 0.222 123 A C 2.216 179.800 177.584 -0.000 0.000 1.175 123 A CA 2.088 54.126 52.037 0.002 0.000 0.651 123 A CB -0.718 18.284 19.000 0.004 0.000 0.815 123 A HN 0.247 nan 8.150 nan 0.000 0.459 124 V N -1.067 118.846 119.914 -0.001 0.000 2.302 124 V HA -0.164 3.956 4.120 0.000 0.000 0.243 124 V C 2.685 178.773 176.094 -0.010 0.000 1.036 124 V CA 2.271 64.568 62.300 -0.006 0.000 1.020 124 V CB -1.146 30.672 31.823 -0.007 0.000 0.657 124 V HN 0.596 nan 8.190 nan 0.000 0.453 125 T N 0.739 115.288 114.554 -0.007 0.000 2.737 125 T HA -0.250 4.100 4.350 0.000 0.000 0.269 125 T C 1.998 176.694 174.700 -0.008 0.000 1.040 125 T CA 1.764 63.859 62.100 -0.009 0.000 1.142 125 T CB -0.450 68.415 68.868 -0.004 0.000 0.861 125 T HN 0.563 nan 8.240 nan 0.000 0.456 126 A N 1.642 124.460 122.820 -0.005 0.000 1.845 126 A HA 0.154 4.474 4.320 0.000 0.000 0.215 126 A C 2.726 180.307 177.584 -0.005 0.000 1.195 126 A CA 1.904 53.939 52.037 -0.003 0.000 0.616 126 A CB -1.344 17.656 19.000 -0.001 0.000 0.832 126 A HN 0.516 nan 8.150 nan 0.000 0.443 127 A N -0.643 122.173 122.820 -0.005 0.000 1.986 127 A HA -0.052 4.268 4.320 0.000 0.000 0.220 127 A C 2.208 179.785 177.584 -0.011 0.000 1.171 127 A CA 2.027 54.061 52.037 -0.006 0.000 0.640 127 A CB -0.922 18.074 19.000 -0.007 0.000 0.811 127 A HN 0.433 nan 8.150 nan 0.000 0.451 128 V N -0.011 119.894 119.914 -0.016 0.000 2.270 128 V HA -0.188 3.932 4.120 0.000 0.000 0.245 128 V C 2.526 178.611 176.094 -0.015 0.000 1.043 128 V CA 1.943 64.230 62.300 -0.021 0.000 1.014 128 V CB -0.767 31.038 31.823 -0.029 0.000 0.645 128 V HN 0.499 nan 8.190 nan 0.000 0.447 129 E N 0.040 120.234 120.200 -0.011 0.000 2.070 129 E HA -0.235 4.115 4.350 0.000 0.000 0.197 129 E C 2.235 178.832 176.600 -0.005 0.000 1.004 129 E CA 1.214 57.610 56.400 -0.007 0.000 0.805 129 E CB -0.443 29.255 29.700 -0.004 0.000 0.744 129 E HN 0.559 nan 8.360 nan 0.000 0.451 130 E N 0.673 120.871 120.200 -0.003 0.000 2.086 130 E HA -0.199 4.151 4.350 0.000 0.000 0.205 130 E C 2.393 178.993 176.600 -0.000 0.000 1.027 130 E CA 0.937 57.337 56.400 -0.000 0.000 0.830 130 E CB -0.443 29.258 29.700 0.001 0.000 0.751 130 E HN 0.329 nan 8.360 nan 0.000 0.456 131 L N 0.364 121.584 121.223 -0.004 0.000 2.027 131 L HA -0.156 4.184 4.340 0.000 0.000 0.206 131 L C 2.447 179.314 176.870 -0.004 0.000 1.074 131 L CA 1.250 56.087 54.840 -0.004 0.000 0.745 131 L CB -0.562 41.490 42.059 -0.010 0.000 0.898 131 L HN 0.055 nan 8.230 nan 0.000 0.433 132 K N 0.432 120.828 120.400 -0.006 0.000 2.286 132 K HA -0.183 4.137 4.320 0.000 0.000 0.203 132 K C 2.152 178.751 176.600 -0.001 0.000 1.045 132 K CA 1.262 57.546 56.287 -0.005 0.000 0.935 132 K CB -0.256 32.240 32.500 -0.007 0.000 0.737 132 K HN 0.348 nan 8.250 nan 0.000 0.460 133 A N 0.956 123.776 122.820 0.000 0.000 1.854 133 A HA -0.098 4.222 4.320 0.000 0.000 0.214 133 A C 1.944 179.531 177.584 0.005 0.000 1.192 133 A CA 1.087 53.126 52.037 0.003 0.000 0.611 133 A CB -0.342 18.661 19.000 0.004 0.000 0.832 133 A HN 0.094 nan 8.150 nan 0.000 0.442 134 L N 0.295 121.522 121.223 0.006 0.000 2.275 134 L HA 0.044 4.384 4.340 0.000 0.000 0.215 134 L C 1.640 178.515 176.870 0.007 0.000 1.119 134 L CA 0.910 55.755 54.840 0.008 0.000 0.790 134 L CB -0.856 41.209 42.059 0.010 0.000 0.919 134 L HN 0.282 nan 8.230 nan 0.000 0.443 135 S N 0.028 115.730 115.700 0.004 0.000 2.546 135 S HA 0.299 4.769 4.470 0.000 0.000 0.290 135 S C -0.244 174.359 174.600 0.005 0.000 1.290 135 S CA -0.403 57.799 58.200 0.004 0.000 1.069 135 S CB 0.141 63.342 63.200 0.001 0.000 0.846 135 S HN 0.131 nan 8.310 nan 0.000 0.495 136 V N 3.311 123.228 119.914 0.006 0.000 2.789 136 V HA 0.703 4.823 4.120 0.000 0.000 0.311 136 V C -2.933 173.165 176.094 0.006 0.000 1.073 136 V CA -2.837 59.467 62.300 0.006 0.000 0.921 136 V CB 1.230 33.058 31.823 0.008 0.000 1.009 136 V HN 0.647 nan 8.190 nan 0.000 0.426 137 P HA 0.112 nan 4.420 nan 0.000 0.261 137 P C -0.451 176.852 177.300 0.005 0.000 1.183 137 P CA 0.213 63.316 63.100 0.005 0.000 0.761 137 P CB 0.208 31.911 31.700 0.005 0.000 0.785 138 C N 4.242 123.545 119.300 0.006 0.000 2.223 138 C HA 0.444 4.904 4.460 0.000 0.000 0.324 138 C C 1.439 176.432 174.990 0.005 0.000 1.196 138 C CA 0.563 59.584 59.018 0.006 0.000 1.628 138 C CB -1.372 26.372 27.740 0.007 0.000 2.229 138 C HN 0.728 nan 8.230 nan 0.000 0.486 139 S N 2.419 118.122 115.700 0.004 0.000 2.769 139 S HA 0.164 4.634 4.470 0.000 0.000 0.258 139 S C -0.062 174.539 174.600 0.003 0.000 1.080 139 S CA 0.102 58.304 58.200 0.003 0.000 0.943 139 S CB -0.487 62.715 63.200 0.003 0.000 0.893 139 S HN 0.830 nan 8.310 nan 0.000 0.490 140 D N 1.979 122.381 120.400 0.003 0.000 2.357 140 D HA 0.452 5.092 4.640 0.000 0.000 0.242 140 D C 0.845 177.146 176.300 0.002 0.000 1.153 140 D CA -0.197 53.805 54.000 0.002 0.000 0.918 140 D CB 0.741 41.542 40.800 0.002 0.000 1.181 140 D HN 0.002 nan 8.370 nan 0.000 0.435 141 S N 0.123 115.824 115.700 0.001 0.000 2.399 141 S HA -0.197 4.273 4.470 0.000 0.000 0.231 141 S C 1.586 176.187 174.600 0.001 0.000 1.022 141 S CA 1.004 59.204 58.200 0.001 0.000 0.983 141 S CB -0.360 62.840 63.200 0.000 0.000 0.803 141 S HN 0.619 nan 8.310 nan 0.000 0.480 142 K N 1.728 122.128 120.400 0.001 0.000 1.991 142 K HA -0.163 4.157 4.320 0.000 0.000 0.212 142 K C 2.302 178.903 176.600 0.001 0.000 1.049 142 K CA 1.447 57.735 56.287 0.001 0.000 0.932 142 K CB -0.498 32.002 32.500 0.001 0.000 0.717 142 K HN 0.273 nan 8.250 nan 0.000 0.441 143 A N 1.581 124.402 122.820 0.002 0.000 1.892 143 A HA -0.206 4.114 4.320 0.000 0.000 0.218 143 A C 2.187 179.773 177.584 0.004 0.000 1.188 143 A CA 2.019 54.058 52.037 0.003 0.000 0.631 143 A CB -0.817 18.185 19.000 0.004 0.000 0.822 143 A HN 0.448 nan 8.150 nan 0.000 0.447 144 I N -0.347 120.225 120.570 0.004 0.000 2.194 144 I HA -0.339 3.831 4.170 0.000 0.000 0.246 144 I C 2.929 179.049 176.117 0.005 0.000 1.093 144 I CA 1.219 62.522 61.300 0.005 0.000 1.355 144 I CB -0.396 37.606 38.000 0.004 0.000 1.046 144 I HN 0.397 nan 8.210 nan 0.000 0.413 145 A N -0.033 122.789 122.820 0.003 0.000 1.969 145 A HA -0.229 4.091 4.320 0.000 0.000 0.218 145 A C 2.227 179.812 177.584 0.002 0.000 1.169 145 A CA 1.378 53.417 52.037 0.003 0.000 0.635 145 A CB -0.467 18.533 19.000 0.001 0.000 0.810 145 A HN 0.490 nan 8.150 nan 0.000 0.445 146 Q N -0.429 119.372 119.800 0.001 0.000 2.123 146 Q HA -0.095 4.245 4.340 0.000 0.000 0.199 146 Q C 2.233 178.234 176.000 0.001 0.000 0.966 146 Q CA 1.735 57.538 55.803 -0.000 0.000 0.845 146 Q CB -0.390 28.347 28.738 -0.001 0.000 0.907 146 Q HN 0.748 nan 8.270 nan 0.000 0.439 147 V N -2.489 117.428 119.914 0.005 0.000 2.379 147 V HA 0.012 4.132 4.120 0.000 0.000 0.245 147 V C 2.000 178.101 176.094 0.011 0.000 1.044 147 V CA 1.878 64.183 62.300 0.008 0.000 1.036 147 V CB -1.375 30.455 31.823 0.012 0.000 0.664 147 V HN 0.285 nan 8.190 nan 0.000 0.453 148 G N 0.581 109.388 108.800 0.012 0.000 2.480 148 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 148 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 148 G C 1.574 176.480 174.900 0.010 0.000 1.200 148 G CA 1.927 47.036 45.100 0.015 0.000 0.782 148 G HN 0.501 nan 8.290 nan 0.000 0.554 149 T N 1.225 115.782 114.554 0.005 0.000 2.597 149 T HA -0.228 4.122 4.350 0.000 0.000 0.267 149 T C 2.302 177.001 174.700 -0.002 0.000 1.053 149 T CA 1.455 63.556 62.100 0.000 0.000 1.165 149 T CB -0.296 68.570 68.868 -0.003 0.000 0.863 149 T HN 0.151 nan 8.240 nan 0.000 0.427 150 I N 0.849 121.417 120.570 -0.003 0.000 2.194 150 I HA -0.201 3.969 4.170 0.000 0.000 0.246 150 I C 2.646 178.762 176.117 -0.003 0.000 1.093 150 I CA 1.486 62.783 61.300 -0.006 0.000 1.355 150 I CB -0.577 37.420 38.000 -0.006 0.000 1.046 150 I HN 0.184 nan 8.210 nan 0.000 0.413 151 S N 0.372 116.074 115.700 0.003 0.000 2.359 151 S HA -0.095 4.375 4.470 0.000 0.000 0.224 151 S C 1.755 176.357 174.600 0.003 0.000 1.035 151 S CA 0.992 59.195 58.200 0.006 0.000 1.018 151 S CB -0.609 62.600 63.200 0.016 0.000 0.876 151 S HN 0.529 nan 8.310 nan 0.000 0.448 152 A N 1.489 124.312 122.820 0.005 0.000 2.958 152 A HA 0.286 4.606 4.320 0.000 0.000 0.247 152 A C 0.584 178.167 177.584 -0.002 0.000 1.679 152 A CA 0.240 52.278 52.037 0.003 0.000 1.345 152 A CB -1.792 17.212 19.000 0.006 0.000 1.013 152 A HN 0.813 nan 8.150 nan 0.000 0.641 153 N N 0.479 119.177 118.700 -0.005 0.000 2.702 153 N HA -0.259 4.481 4.740 0.000 0.000 0.255 153 N C -0.044 175.460 175.510 -0.010 0.000 0.983 153 N CA 0.483 53.528 53.050 -0.008 0.000 0.768 153 N CB -0.722 37.760 38.487 -0.008 0.000 0.918 153 N HN 0.610 nan 8.380 nan 0.000 0.540 154 S N -0.864 114.829 115.700 -0.011 0.000 3.787 154 S HA -0.184 4.286 4.470 0.000 0.000 0.321 154 S C -0.669 173.925 174.600 -0.011 0.000 1.119 154 S CA 0.747 58.939 58.200 -0.013 0.000 0.918 154 S CB -0.881 62.307 63.200 -0.019 0.000 0.913 154 S HN 0.687 nan 8.310 nan 0.000 0.506 155 D N 0.912 121.308 120.400 -0.007 0.000 2.427 155 D HA 0.293 4.933 4.640 0.000 0.000 0.226 155 D C 1.101 177.399 176.300 -0.004 0.000 1.076 155 D CA -0.457 53.540 54.000 -0.005 0.000 0.849 155 D CB 0.712 41.511 40.800 -0.003 0.000 1.052 155 D HN 0.436 nan 8.370 nan 0.000 0.515 156 E N 1.322 121.518 120.200 -0.005 0.000 2.058 156 E HA -0.171 4.179 4.350 0.000 0.000 0.194 156 E C 1.557 178.155 176.600 -0.002 0.000 0.997 156 E CA 1.449 57.846 56.400 -0.005 0.000 0.801 156 E CB 0.106 29.803 29.700 -0.006 0.000 0.746 156 E HN 0.498 nan 8.360 nan 0.000 0.450 157 T N 1.129 115.682 114.554 -0.002 0.000 2.714 157 T HA -0.198 4.152 4.350 0.000 0.000 0.268 157 T C 2.038 176.738 174.700 0.001 0.000 1.036 157 T CA 1.463 63.562 62.100 -0.001 0.000 1.148 157 T CB -0.341 68.526 68.868 -0.001 0.000 0.856 157 T HN -0.010 nan 8.240 nan 0.000 0.462 158 V N 1.350 121.265 119.914 0.002 0.000 2.231 158 V HA -0.029 4.091 4.120 0.000 0.000 0.240 158 V C 2.945 179.043 176.094 0.006 0.000 1.039 158 V CA 1.943 64.246 62.300 0.006 0.000 0.998 158 V CB -1.561 30.267 31.823 0.007 0.000 0.639 158 V HN 0.542 nan 8.190 nan 0.000 0.451 159 G N 0.376 109.179 108.800 0.005 0.000 2.505 159 G HA2 -0.413 3.547 3.960 0.000 0.000 0.220 159 G HA3 -0.413 3.547 3.960 0.000 0.000 0.220 159 G C 1.555 176.457 174.900 0.003 0.000 1.145 159 G CA 1.673 46.776 45.100 0.005 0.000 0.761 159 G HN 0.496 nan 8.290 nan 0.000 0.571 160 K N 0.282 120.683 120.400 0.002 0.000 2.001 160 K HA -0.087 4.233 4.320 0.000 0.000 0.214 160 K C 2.318 178.919 176.600 0.001 0.000 1.050 160 K CA 1.414 57.701 56.287 0.001 0.000 0.934 160 K CB -0.960 31.540 32.500 -0.000 0.000 0.718 160 K HN 0.231 nan 8.250 nan 0.000 0.443 161 L N 0.945 122.170 121.223 0.002 0.000 1.970 161 L HA -0.097 4.243 4.340 0.000 0.000 0.212 161 L C 2.301 179.172 176.870 0.002 0.000 1.071 161 L CA 1.836 56.677 54.840 0.002 0.000 0.751 161 L CB -0.659 41.401 42.059 0.003 0.000 0.889 161 L HN 0.384 nan 8.230 nan 0.000 0.432 162 I N -0.631 119.941 120.570 0.004 0.000 2.113 162 I HA -0.417 3.753 4.170 0.000 0.000 0.242 162 I C 2.611 178.729 176.117 0.002 0.000 1.064 162 I CA 1.541 62.843 61.300 0.004 0.000 1.320 162 I CB -0.867 37.138 38.000 0.008 0.000 1.028 162 I HN 0.411 nan 8.210 nan 0.000 0.406 163 A N 0.532 123.353 122.820 0.002 0.000 1.903 163 A HA -0.294 4.026 4.320 0.000 0.000 0.219 163 A C 2.192 179.776 177.584 0.000 0.000 1.191 163 A CA 2.265 54.303 52.037 0.001 0.000 0.638 163 A CB -0.807 18.194 19.000 0.001 0.000 0.823 163 A HN 0.536 nan 8.150 nan 0.000 0.451 164 E N -0.441 119.759 120.200 -0.000 0.000 2.012 164 E HA -0.177 4.173 4.350 0.000 0.000 0.197 164 E C 2.442 179.041 176.600 -0.002 0.000 1.007 164 E CA 1.054 57.453 56.400 -0.001 0.000 0.816 164 E CB -0.455 29.245 29.700 -0.001 0.000 0.762 164 E HN 0.611 nan 8.360 nan 0.000 0.451 165 A N 1.821 124.640 122.820 -0.002 0.000 1.881 165 A HA -0.308 4.012 4.320 0.000 0.000 0.219 165 A C 2.296 179.878 177.584 -0.004 0.000 1.215 165 A CA 2.526 54.562 52.037 -0.003 0.000 0.648 165 A CB -0.862 18.136 19.000 -0.003 0.000 0.832 165 A HN 0.202 nan 8.150 nan 0.000 0.455 166 M N -1.186 118.412 119.600 -0.003 0.000 2.106 166 M HA -0.216 4.264 4.480 0.000 0.000 0.259 166 M C 1.928 178.226 176.300 -0.003 0.000 1.068 166 M CA 2.187 57.484 55.300 -0.004 0.000 1.100 166 M CB -0.885 31.713 32.600 -0.003 0.000 1.351 166 M HN 0.586 nan 8.290 nan 0.000 0.404 167 D N 0.116 120.514 120.400 -0.002 0.000 2.311 167 D HA -0.142 4.498 4.640 0.000 0.000 0.212 167 D C 1.722 178.020 176.300 -0.003 0.000 0.972 167 D CA 1.297 55.296 54.000 -0.002 0.000 0.887 167 D CB 0.294 41.093 40.800 -0.002 0.000 0.915 167 D HN 0.111 nan 8.370 nan 0.000 0.497 168 K N -0.687 119.711 120.400 -0.003 0.000 2.253 168 K HA 0.113 4.433 4.320 0.000 0.000 0.225 168 K C 1.988 178.585 176.600 -0.004 0.000 1.037 168 K CA 1.000 57.284 56.287 -0.004 0.000 0.928 168 K CB -0.681 31.817 32.500 -0.004 0.000 1.057 168 K HN -0.016 nan 8.250 nan 0.000 0.462 169 V N -0.997 118.915 119.914 -0.004 0.000 2.764 169 V HA -0.012 4.108 4.120 0.000 0.000 0.261 169 V C 1.099 177.191 176.094 -0.003 0.000 1.108 169 V CA 1.572 63.869 62.300 -0.004 0.000 1.129 169 V CB -1.798 30.023 31.823 -0.004 0.000 0.701 169 V HN 0.523 nan 8.190 nan 0.000 0.495 170 G N 0.192 108.990 108.800 -0.003 0.000 2.508 170 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 170 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 170 G C 0.188 175.086 174.900 -0.002 0.000 1.287 170 G CA 0.212 45.310 45.100 -0.002 0.000 0.916 170 G HN 0.410 nan 8.290 nan 0.000 0.574 171 K N 0.376 120.775 120.400 -0.001 0.000 2.202 171 K HA 0.173 4.493 4.320 0.000 0.000 0.201 171 K C 1.739 178.338 176.600 -0.002 0.000 1.051 171 K CA 1.324 57.610 56.287 -0.001 0.000 0.977 171 K CB 0.227 32.727 32.500 0.000 0.000 0.792 171 K HN 0.518 nan 8.250 nan 0.000 0.469 172 E N 0.994 121.193 120.200 -0.000 0.000 2.451 172 E HA 0.086 4.436 4.350 0.000 0.000 0.194 172 E C 0.198 176.799 176.600 0.001 0.000 1.027 172 E CA -0.463 55.938 56.400 0.001 0.000 0.914 172 E CB 0.902 30.605 29.700 0.004 0.000 1.054 172 E HN 0.193 nan 8.360 nan 0.000 0.461 173 G N 1.014 109.813 108.800 -0.001 0.000 2.432 173 G HA2 0.293 4.253 3.960 0.000 0.000 0.257 173 G HA3 0.293 4.253 3.960 0.000 0.000 0.257 173 G C 0.150 175.048 174.900 -0.004 0.000 1.238 173 G CA -0.433 44.667 45.100 -0.001 0.000 0.838 173 G HN -0.040 nan 8.290 nan 0.000 0.547 174 V N 2.366 122.279 119.914 -0.001 0.000 2.686 174 V HA 0.469 4.589 4.120 0.000 0.000 0.295 174 V C 0.358 176.448 176.094 -0.007 0.000 1.057 174 V CA -0.229 62.069 62.300 -0.003 0.000 1.012 174 V CB 1.207 33.034 31.823 0.006 0.000 1.006 174 V HN 0.544 nan 8.190 nan 0.000 0.477 175 I N 3.413 123.973 120.570 -0.017 0.000 2.534 175 I HA 0.566 4.736 4.170 0.000 0.000 0.288 175 I C -0.329 175.775 176.117 -0.021 0.000 1.077 175 I CA -0.287 61.002 61.300 -0.017 0.000 1.051 175 I CB 2.471 40.458 38.000 -0.022 0.000 1.234 175 I HN 0.785 nan 8.210 nan 0.000 0.425 176 T N 2.165 116.713 114.554 -0.009 0.000 2.896 176 T HA 0.687 5.037 4.350 0.000 0.000 0.297 176 T C -1.106 173.597 174.700 0.005 0.000 1.108 176 T CA -0.890 61.208 62.100 -0.004 0.000 1.004 176 T CB 2.369 71.239 68.868 0.003 0.000 1.159 176 T HN 0.328 nan 8.240 nan 0.000 0.499 177 V N 1.018 120.939 119.914 0.012 0.000 2.540 177 V HA 0.725 4.845 4.120 0.000 0.000 0.302 177 V C -1.125 174.978 176.094 0.016 0.000 1.035 177 V CA -0.377 61.933 62.300 0.016 0.000 0.873 177 V CB 1.420 33.257 31.823 0.024 0.000 0.992 177 V HN 1.074 nan 8.190 nan 0.000 0.428 178 E N 3.545 123.753 120.200 0.013 0.000 2.423 178 E HA 0.473 4.823 4.350 0.000 0.000 0.269 178 E C -1.520 175.087 176.600 0.011 0.000 0.948 178 E CA -1.034 55.374 56.400 0.012 0.000 0.802 178 E CB 1.440 31.147 29.700 0.011 0.000 1.339 178 E HN 0.666 nan 8.360 nan 0.000 0.445 179 D N 0.854 121.261 120.400 0.010 0.000 2.389 179 D HA 0.211 4.851 4.640 0.000 0.000 0.247 179 D C -0.026 176.279 176.300 0.008 0.000 1.128 179 D CA 0.221 54.227 54.000 0.009 0.000 0.884 179 D CB 1.251 42.057 40.800 0.009 0.000 1.194 179 D HN 0.472 nan 8.370 nan 0.000 0.441 180 G N 0.132 108.936 108.800 0.007 0.000 2.451 180 G HA2 0.309 4.269 3.960 0.000 0.000 0.303 180 G HA3 0.309 4.269 3.960 0.000 0.000 0.303 180 G C 1.160 176.063 174.900 0.005 0.000 1.166 180 G CA -0.294 44.809 45.100 0.005 0.000 0.884 180 G HN 0.415 nan 8.290 nan 0.000 0.514 181 T N -0.279 114.277 114.554 0.004 0.000 2.668 181 T HA 0.133 4.483 4.350 0.000 0.000 0.258 181 T C 1.769 176.471 174.700 0.003 0.000 1.051 181 T CA 1.108 63.210 62.100 0.003 0.000 1.155 181 T CB -0.781 68.088 68.868 0.002 0.000 0.864 181 T HN 0.724 nan 8.240 nan 0.000 0.413 182 G N 0.602 109.403 108.800 0.002 0.000 2.468 182 G HA2 0.464 4.424 3.960 0.000 0.000 0.264 182 G HA3 0.464 4.424 3.960 0.000 0.000 0.264 182 G C 0.574 175.475 174.900 0.002 0.000 1.460 182 G CA -0.330 44.771 45.100 0.001 0.000 1.060 182 G HN 0.462 nan 8.290 nan 0.000 0.543 183 L N -0.763 120.461 121.223 0.001 0.000 2.638 183 L HA 0.217 4.557 4.340 0.000 0.000 0.232 183 L C 0.482 177.353 176.870 0.001 0.000 1.099 183 L CA 0.085 54.926 54.840 0.001 0.000 0.883 183 L CB 0.082 42.142 42.059 0.000 0.000 1.136 183 L HN 0.325 nan 8.230 nan 0.000 0.492 184 Q N 0.264 120.065 119.800 0.001 0.000 2.227 184 Q HA 0.254 4.594 4.340 0.000 0.000 0.245 184 Q C -0.684 175.317 176.000 0.001 0.000 0.926 184 Q CA -0.377 55.426 55.803 0.000 0.000 0.895 184 Q CB 0.975 29.713 28.738 -0.000 0.000 1.230 184 Q HN -0.027 nan 8.270 nan 0.000 0.450 185 D N 1.380 121.781 120.400 0.001 0.000 2.341 185 D HA 0.135 4.775 4.640 0.000 0.000 0.245 185 D C -0.530 175.771 176.300 0.002 0.000 1.106 185 D CA 0.038 54.040 54.000 0.002 0.000 0.905 185 D CB 1.063 41.865 40.800 0.003 0.000 1.202 185 D HN 0.477 nan 8.370 nan 0.000 0.426 186 E N 0.907 121.108 120.200 0.002 0.000 2.292 186 E HA 0.382 4.732 4.350 0.000 0.000 0.272 186 E C -1.762 174.839 176.600 0.001 0.000 0.881 186 E CA -0.855 55.545 56.400 0.001 0.000 0.754 186 E CB 1.836 31.537 29.700 0.001 0.000 1.201 186 E HN 0.126 nan 8.360 nan 0.000 0.425 187 L N 3.953 125.176 121.223 0.000 0.000 2.305 187 L HA 0.517 4.857 4.340 0.000 0.000 0.284 187 L C -1.605 175.264 176.870 -0.002 0.000 1.013 187 L CA -0.265 54.575 54.840 -0.000 0.000 0.819 187 L CB 1.371 43.430 42.059 -0.000 0.000 1.227 187 L HN 0.425 nan 8.230 nan 0.000 0.417 188 D N 4.095 124.494 120.400 -0.001 0.000 2.256 188 D HA 0.582 5.222 4.640 0.000 0.000 0.246 188 D C -0.963 175.335 176.300 -0.003 0.000 1.042 188 D CA -0.028 53.971 54.000 -0.003 0.000 0.841 188 D CB 2.536 43.335 40.800 -0.002 0.000 1.223 188 D HN 0.276 nan 8.370 nan 0.000 0.470 189 V N 2.130 122.041 119.914 -0.005 0.000 2.443 189 V HA 0.230 4.350 4.120 0.000 0.000 0.293 189 V C 0.066 176.155 176.094 -0.009 0.000 1.021 189 V CA -0.891 61.406 62.300 -0.006 0.000 0.848 189 V CB 1.915 33.734 31.823 -0.006 0.000 0.998 189 V HN 0.300 nan 8.190 nan 0.000 0.424 190 V N 4.508 124.417 119.914 -0.008 0.000 2.555 190 V HA 0.285 4.405 4.120 0.000 0.000 0.286 190 V C 0.301 176.385 176.094 -0.016 0.000 1.044 190 V CA -0.250 62.042 62.300 -0.013 0.000 1.026 190 V CB 1.158 32.976 31.823 -0.009 0.000 0.981 190 V HN 0.768 nan 8.190 nan 0.000 0.480 191 E N 3.316 123.503 120.200 -0.023 0.000 2.133 191 E HA 0.570 4.920 4.350 0.000 0.000 0.274 191 E C 0.622 177.203 176.600 -0.031 0.000 0.930 191 E CA 0.720 57.106 56.400 -0.024 0.000 0.770 191 E CB 1.571 31.257 29.700 -0.024 0.000 1.104 191 E HN 0.946 nan 8.360 nan 0.000 0.403 192 G N 2.960 111.744 108.800 -0.027 0.000 2.512 192 G HA2 -0.300 3.660 3.960 0.000 0.000 0.254 192 G HA3 -0.300 3.660 3.960 0.000 0.000 0.254 192 G C -0.273 174.604 174.900 -0.039 0.000 1.199 192 G CA 0.112 45.192 45.100 -0.033 0.000 0.941 192 G HN 0.461 nan 8.290 nan 0.000 0.569 193 M N 1.520 121.085 119.600 -0.058 0.000 2.157 193 M HA 0.720 5.200 4.480 0.000 0.000 0.354 193 M C -0.234 175.982 176.300 -0.139 0.000 1.170 193 M CA -0.163 55.090 55.300 -0.077 0.000 1.060 193 M CB 1.156 33.710 32.600 -0.077 0.000 1.615 193 M HN 0.938 nan 8.290 nan 0.000 0.460 194 Q N 4.247 123.963 119.800 -0.140 0.000 2.594 194 Q HA 0.559 4.899 4.340 0.000 0.000 0.278 194 Q C -2.209 173.743 176.000 -0.080 0.000 0.961 194 Q CA -0.651 55.023 55.803 -0.214 0.000 0.844 194 Q CB 1.688 30.355 28.738 -0.119 0.000 1.475 194 Q HN 0.703 nan 8.270 nan 0.000 0.389 195 F N -0.050 119.899 119.950 -0.002 0.000 2.715 195 F HA 0.472 4.999 4.527 0.000 0.000 0.318 195 F C -0.829 174.971 175.800 0.001 0.000 1.141 195 F CA -1.492 56.509 58.000 0.003 0.000 0.950 195 F CB 0.316 39.322 39.000 0.009 0.000 1.374 195 F HN 0.442 nan 8.300 nan 0.000 0.477 196 D N -0.038 120.581 120.400 0.365 0.000 2.801 196 D HA 0.385 5.025 4.640 0.000 0.000 0.232 196 D C 0.040 176.420 176.300 0.133 0.000 1.128 196 D CA 0.126 54.239 54.000 0.189 0.000 1.003 196 D CB -0.312 40.540 40.800 0.087 0.000 1.110 196 D HN 0.957 nan 8.370 nan 0.000 0.477 197 R N -0.064 120.603 120.500 0.278 0.000 2.538 197 R HA 0.686 5.026 4.340 0.000 0.000 0.292 197 R C 0.008 176.424 176.300 0.193 0.000 1.008 197 R CA -0.450 55.746 56.100 0.159 0.000 0.896 197 R CB 1.034 31.346 30.300 0.020 0.000 1.187 197 R HN 0.371 nan 8.270 nan 0.000 0.440 198 G N 0.688 109.561 108.800 0.123 0.000 2.511 198 G HA2 0.557 4.517 3.960 0.000 0.000 0.316 198 G HA3 0.557 4.517 3.960 0.000 0.000 0.316 198 G C -0.363 174.666 174.900 0.215 0.000 1.210 198 G CA -0.417 44.743 45.100 0.101 0.000 0.969 198 G HN 0.970 nan 8.290 nan 0.000 0.492 199 Y N -0.136 120.206 120.300 0.071 0.000 2.309 199 Y HA 0.475 5.025 4.550 0.000 0.000 0.327 199 Y C 0.610 176.549 175.900 0.065 0.000 1.172 199 Y CA -2.126 56.016 58.100 0.070 0.000 1.280 199 Y CB 0.551 39.050 38.460 0.065 0.000 1.234 199 Y HN 0.129 nan 8.280 nan 0.000 0.512 200 L N 2.437 123.769 121.223 0.181 0.000 2.270 200 L HA 0.025 4.365 4.340 0.000 0.000 0.210 200 L C 1.317 178.182 176.870 -0.009 0.000 1.104 200 L CA 1.326 56.212 54.840 0.077 0.000 0.804 200 L CB -0.816 41.283 42.059 0.067 0.000 0.937 200 L HN 0.759 nan 8.230 nan 0.000 0.450 201 S N -0.073 115.588 115.700 -0.064 0.000 3.158 201 S HA 0.292 4.762 4.470 0.000 0.000 0.215 201 S C -1.570 172.785 174.600 -0.407 0.000 1.359 201 S CA -1.198 56.959 58.200 -0.073 0.000 0.974 201 S CB 0.119 63.315 63.200 -0.007 0.000 1.336 201 S HN 0.066 nan 8.310 nan 0.000 0.488 202 P HA -0.208 nan 4.420 nan 0.000 0.217 202 P C 0.618 177.597 177.300 -0.535 0.000 1.148 202 P CA 1.291 63.764 63.100 -1.046 0.000 0.828 202 P CB -0.197 31.158 31.700 -0.576 0.000 0.783 203 Y N -0.147 119.982 120.300 -0.285 0.000 2.274 203 Y HA -0.066 4.484 4.550 0.000 0.000 0.290 203 Y C 2.579 178.425 175.900 -0.089 0.000 1.145 203 Y CA 0.860 58.880 58.100 -0.133 0.000 1.203 203 Y CB -2.073 36.332 38.460 -0.091 0.000 0.984 203 Y HN -0.116 nan 8.280 nan 0.000 0.533 204 F N 1.738 121.724 119.950 0.061 0.000 2.783 204 F HA 0.400 4.927 4.527 0.000 0.000 0.338 204 F C 0.290 176.187 175.800 0.161 0.000 1.178 204 F CA -0.773 57.278 58.000 0.085 0.000 1.343 204 F CB -1.905 37.142 39.000 0.078 0.000 1.496 204 F HN -0.035 nan 8.300 nan 0.000 0.583 205 I N 1.665 122.335 120.570 0.166 0.000 2.342 205 I HA 0.131 4.301 4.170 0.000 0.000 0.291 205 I C 1.147 177.341 176.117 0.127 0.000 1.010 205 I CA -0.417 61.023 61.300 0.233 0.000 1.308 205 I CB 1.248 39.374 38.000 0.210 0.000 1.400 205 I HN 0.549 nan 8.210 nan 0.000 0.488 206 N N 6.376 125.138 118.700 0.103 0.000 2.141 206 N HA -0.072 4.668 4.740 0.000 0.000 0.187 206 N C 1.322 176.859 175.510 0.045 0.000 1.068 206 N CA 1.307 54.394 53.050 0.062 0.000 0.906 206 N CB 0.243 38.756 38.487 0.044 0.000 1.069 206 N HN 0.604 nan 8.380 nan 0.000 0.461 207 K N 0.431 120.848 120.400 0.029 0.000 2.118 207 K HA 0.177 4.497 4.320 0.000 0.000 0.214 207 K C -1.541 175.069 176.600 0.018 0.000 1.023 207 K CA -0.240 56.059 56.287 0.020 0.000 0.948 207 K CB -0.954 31.552 32.500 0.009 0.000 0.851 207 K HN 0.166 nan 8.250 nan 0.000 0.455 208 P HA 0.032 nan 4.420 nan 0.000 0.272 208 P C -0.751 176.556 177.300 0.012 0.000 1.254 208 P CA 0.033 63.136 63.100 0.005 0.000 0.795 208 P CB 0.546 32.242 31.700 -0.006 0.000 1.022 209 E N -0.815 119.390 120.200 0.008 0.000 3.188 209 E HA 0.336 4.686 4.350 0.000 0.000 0.262 209 E C 0.291 176.892 176.600 0.003 0.000 1.341 209 E CA -0.065 56.343 56.400 0.014 0.000 1.140 209 E CB -0.608 29.098 29.700 0.010 0.000 1.306 209 E HN 0.409 nan 8.360 nan 0.000 0.694 210 T N -0.740 113.818 114.554 0.007 0.000 5.888 210 T HA -0.124 4.226 4.350 0.000 0.000 0.275 210 T C 0.819 175.497 174.700 -0.037 0.000 2.123 210 T CA 1.234 63.327 62.100 -0.010 0.000 3.523 210 T CB -1.727 67.125 68.868 -0.027 0.000 1.240 210 T HN 1.094 nan 8.240 nan 0.000 1.133 211 G N 0.070 108.880 108.800 0.016 0.000 2.132 211 G HA2 0.099 4.059 3.960 0.000 0.000 0.234 211 G HA3 0.099 4.059 3.960 0.000 0.000 0.234 211 G C 0.201 175.013 174.900 -0.147 0.000 0.989 211 G CA 0.366 45.464 45.100 -0.005 0.000 0.676 211 G HN 1.981 nan 8.290 nan 0.000 0.522 212 A N -0.024 122.765 122.820 -0.053 0.000 2.505 212 A HA 0.567 4.887 4.320 0.000 0.000 0.271 212 A C 0.575 178.162 177.584 0.004 0.000 1.112 212 A CA 0.703 52.711 52.037 -0.049 0.000 0.781 212 A CB 0.464 19.448 19.000 -0.028 0.000 1.059 212 A HN 1.215 nan 8.150 nan 0.000 0.508 213 V N 3.416 123.323 119.914 -0.011 0.000 2.513 213 V HA 0.419 4.539 4.120 0.000 0.000 0.299 213 V C 0.194 176.291 176.094 0.004 0.000 1.035 213 V CA -0.445 61.876 62.300 0.035 0.000 0.889 213 V CB 1.620 33.488 31.823 0.075 0.000 0.988 213 V HN 0.947 nan 8.190 nan 0.000 0.440 214 E N 4.157 124.364 120.200 0.011 0.000 3.935 214 E HA 0.300 4.650 4.350 0.000 0.000 0.226 214 E C -0.959 175.638 176.600 -0.006 0.000 1.220 214 E CA -0.339 56.057 56.400 -0.006 0.000 1.226 214 E CB 1.103 30.797 29.700 -0.010 0.000 1.237 214 E HN 0.575 nan 8.360 nan 0.000 0.417 215 L N 2.116 123.338 121.223 -0.002 0.000 2.742 215 L HA 0.021 4.361 4.340 0.000 0.000 0.275 215 L C 0.673 177.524 176.870 -0.031 0.000 1.141 215 L CA 0.229 55.066 54.840 -0.006 0.000 0.987 215 L CB -0.499 41.562 42.059 0.004 0.000 1.319 215 L HN 0.264 nan 8.230 nan 0.000 0.478 216 E N 3.710 123.891 120.200 -0.031 0.000 2.292 216 E HA 0.002 4.352 4.350 0.000 0.000 0.265 216 E C 0.634 177.186 176.600 -0.080 0.000 1.093 216 E CA 0.323 56.695 56.400 -0.047 0.000 0.922 216 E CB 0.342 30.023 29.700 -0.033 0.000 1.001 216 E HN 0.524 nan 8.360 nan 0.000 0.444 217 S N 4.279 119.915 115.700 -0.108 0.000 3.797 217 S HA -0.102 4.368 4.470 0.000 0.000 0.374 217 S C -2.284 172.146 174.600 -0.284 0.000 0.970 217 S CA 0.278 58.371 58.200 -0.179 0.000 1.177 217 S CB -0.956 62.145 63.200 -0.164 0.000 0.891 217 S HN 0.588 nan 8.310 nan 0.000 0.491 218 P HA 0.446 nan 4.420 nan 0.000 0.279 218 P C -0.325 176.754 177.300 -0.369 0.000 1.282 218 P CA -0.472 62.500 63.100 -0.214 0.000 0.788 218 P CB 0.326 31.985 31.700 -0.069 0.000 1.139 219 F N -0.378 119.576 119.950 0.007 0.000 2.445 219 F HA 0.318 4.845 4.527 0.000 0.000 0.348 219 F C 0.403 176.210 175.800 0.011 0.000 1.125 219 F CA -0.693 57.311 58.000 0.007 0.000 0.983 219 F CB 0.574 39.578 39.000 0.007 0.000 1.198 219 F HN 0.004 nan 8.300 nan 0.000 0.436 220 I N 4.503 125.175 120.570 0.171 0.000 2.519 220 I HA 0.267 4.437 4.170 0.000 0.000 0.287 220 I C -0.518 175.668 176.117 0.114 0.000 1.047 220 I CA -0.389 60.977 61.300 0.112 0.000 1.381 220 I CB 0.821 38.862 38.000 0.068 0.000 1.417 220 I HN 0.321 nan 8.210 nan 0.000 0.540 221 L N 7.290 128.568 121.223 0.091 0.000 2.409 221 L HA 0.663 5.003 4.340 0.000 0.000 0.272 221 L C -1.431 175.474 176.870 0.060 0.000 0.980 221 L CA -0.479 54.403 54.840 0.069 0.000 0.826 221 L CB 1.398 43.492 42.059 0.060 0.000 1.268 221 L HN 0.335 nan 8.230 nan 0.000 0.407 222 L N 5.032 126.283 121.223 0.047 0.000 2.346 222 L HA 0.990 5.330 4.340 0.000 0.000 0.276 222 L C 0.113 176.997 176.870 0.023 0.000 1.006 222 L CA -0.052 54.812 54.840 0.041 0.000 0.817 222 L CB 1.505 43.590 42.059 0.042 0.000 1.272 222 L HN 0.789 nan 8.230 nan 0.000 0.421 223 A N 1.074 123.904 122.820 0.016 0.000 2.486 223 A HA 0.860 5.180 4.320 0.000 0.000 0.277 223 A C -0.954 176.624 177.584 -0.009 0.000 1.282 223 A CA -0.375 51.664 52.037 0.003 0.000 0.784 223 A CB 1.096 20.097 19.000 0.003 0.000 1.350 223 A HN 0.677 nan 8.150 nan 0.000 0.454 224 D N -0.565 119.825 120.400 -0.018 0.000 2.865 224 D HA 0.503 5.143 4.640 0.000 0.000 0.347 224 D C -0.131 176.148 176.300 -0.035 0.000 1.498 224 D CA 1.011 54.993 54.000 -0.031 0.000 0.787 224 D CB 0.959 41.740 40.800 -0.031 0.000 1.190 224 D HN 0.864 nan 8.370 nan 0.000 0.445 225 K N -0.899 119.483 120.400 -0.029 0.000 2.772 225 K HA 0.731 5.051 4.320 0.000 0.000 0.292 225 K C -0.522 176.065 176.600 -0.021 0.000 1.049 225 K CA -0.479 55.791 56.287 -0.029 0.000 0.846 225 K CB 0.092 32.577 32.500 -0.024 0.000 1.514 225 K HN 0.120 nan 8.250 nan 0.000 0.373 226 K N 0.174 120.562 120.400 -0.020 0.000 2.117 226 K HA 0.812 5.132 4.320 0.000 0.000 0.240 226 K C 0.122 176.716 176.600 -0.010 0.000 1.031 226 K CA 0.539 56.818 56.287 -0.013 0.000 0.909 226 K CB 0.298 32.790 32.500 -0.013 0.000 1.097 226 K HN 0.878 nan 8.250 nan 0.000 0.492 227 I N 1.048 121.614 120.570 -0.007 0.000 2.925 227 I HA 0.268 4.438 4.170 0.000 0.000 0.296 227 I C 1.555 177.667 176.117 -0.008 0.000 1.413 227 I CA 0.098 61.394 61.300 -0.007 0.000 0.932 227 I CB 0.542 38.539 38.000 -0.004 0.000 1.873 227 I HN 0.823 nan 8.210 nan 0.000 0.619 228 S N 2.390 118.085 115.700 -0.009 0.000 2.374 228 S HA -0.105 4.365 4.470 0.000 0.000 0.207 228 S C 1.682 176.275 174.600 -0.012 0.000 1.042 228 S CA 1.875 60.069 58.200 -0.010 0.000 1.034 228 S CB -0.539 62.655 63.200 -0.009 0.000 1.018 228 S HN 0.541 nan 8.310 nan 0.000 0.419 229 N N -0.166 118.527 118.700 -0.012 0.000 2.203 229 N HA 0.518 5.258 4.740 0.000 0.000 0.207 229 N C 1.095 176.598 175.510 -0.012 0.000 1.130 229 N CA 0.690 53.732 53.050 -0.012 0.000 0.861 229 N CB -0.519 37.961 38.487 -0.012 0.000 1.005 229 N HN 0.961 nan 8.380 nan 0.000 0.507 230 I N -0.220 120.343 120.570 -0.011 0.000 3.620 230 I HA 0.460 4.630 4.170 0.000 0.000 0.305 230 I C 2.516 178.627 176.117 -0.011 0.000 1.243 230 I CA 0.992 62.286 61.300 -0.011 0.000 1.196 230 I CB -2.369 35.625 38.000 -0.011 0.000 1.004 230 I HN 0.750 nan 8.210 nan 0.000 0.487 231 R N 0.843 121.336 120.500 -0.012 0.000 2.276 231 R HA -0.021 4.319 4.340 0.000 0.000 0.243 231 R C 1.235 177.528 176.300 -0.012 0.000 1.161 231 R CA 1.721 57.814 56.100 -0.012 0.000 1.007 231 R CB -2.136 28.155 30.300 -0.015 0.000 0.867 231 R HN 1.553 nan 8.270 nan 0.000 0.472 232 E N 0.137 120.330 120.200 -0.012 0.000 2.558 232 E HA 0.364 4.714 4.350 0.000 0.000 0.255 232 E C 0.839 177.432 176.600 -0.012 0.000 0.968 232 E CA 0.874 57.266 56.400 -0.012 0.000 0.939 232 E CB -0.544 29.149 29.700 -0.012 0.000 0.921 232 E HN 1.275 nan 8.360 nan 0.000 0.477 233 M N -0.808 118.784 119.600 -0.014 0.000 5.639 233 M HA -0.014 4.466 4.480 0.000 0.000 0.664 233 M C 0.444 176.734 176.300 -0.017 0.000 2.326 233 M CA -0.032 55.259 55.300 -0.015 0.000 0.410 233 M CB -1.157 31.435 32.600 -0.013 0.000 3.049 233 M HN 0.349 nan 8.290 nan 0.000 0.718 234 L N 2.143 123.357 121.223 -0.016 0.000 2.151 234 L HA -0.062 4.278 4.340 0.000 0.000 0.215 234 L C -0.434 176.423 176.870 -0.022 0.000 1.084 234 L CA 2.727 57.556 54.840 -0.017 0.000 0.764 234 L CB -2.093 39.956 42.059 -0.015 0.000 0.891 234 L HN 0.402 nan 8.230 nan 0.000 0.435 235 P HA -0.173 nan 4.420 nan 0.000 0.212 235 P C 1.898 179.174 177.300 -0.040 0.000 1.178 235 P CA 1.703 64.785 63.100 -0.030 0.000 0.915 235 P CB -0.047 31.637 31.700 -0.028 0.000 0.788 236 V N 1.048 120.937 119.914 -0.042 0.000 2.282 236 V HA -0.248 3.872 4.120 0.000 0.000 0.249 236 V C 2.845 178.905 176.094 -0.057 0.000 1.057 236 V CA 1.840 64.106 62.300 -0.056 0.000 1.032 236 V CB -1.490 30.308 31.823 -0.043 0.000 0.645 236 V HN 0.042 nan 8.190 nan 0.000 0.447 237 L N 0.518 121.720 121.223 -0.035 0.000 1.943 237 L HA -0.242 4.098 4.340 0.000 0.000 0.215 237 L C 2.920 179.774 176.870 -0.027 0.000 1.074 237 L CA 2.695 57.522 54.840 -0.023 0.000 0.759 237 L CB -0.884 41.167 42.059 -0.013 0.000 0.888 237 L HN 0.453 nan 8.230 nan 0.000 0.433 238 E N -0.057 120.128 120.200 -0.025 0.000 2.273 238 E HA -0.234 4.116 4.350 0.000 0.000 0.198 238 E C 1.974 178.554 176.600 -0.034 0.000 1.002 238 E CA 1.540 57.926 56.400 -0.022 0.000 0.828 238 E CB -1.084 28.605 29.700 -0.020 0.000 0.747 238 E HN 0.797 nan 8.360 nan 0.000 0.491 239 A N 0.124 122.910 122.820 -0.056 0.000 1.978 239 A HA 0.036 4.356 4.320 0.000 0.000 0.220 239 A C 2.629 180.149 177.584 -0.105 0.000 1.170 239 A CA 1.849 53.835 52.037 -0.085 0.000 0.636 239 A CB -0.164 18.766 19.000 -0.116 0.000 0.810 239 A HN 0.553 nan 8.150 nan 0.000 0.448 240 V N -0.962 118.895 119.914 -0.095 0.000 2.825 240 V HA 0.009 4.129 4.120 0.000 0.000 0.246 240 V C 2.856 178.965 176.094 0.025 0.000 1.068 240 V CA 1.065 63.331 62.300 -0.057 0.000 1.088 240 V CB -0.862 30.951 31.823 -0.017 0.000 0.733 240 V HN 0.551 nan 8.190 nan 0.000 0.468 241 A N 0.524 123.351 122.820 0.012 0.000 2.032 241 A HA -0.263 4.057 4.320 0.000 0.000 0.221 241 A C 2.280 179.877 177.584 0.021 0.000 1.165 241 A CA 2.156 54.206 52.037 0.021 0.000 0.645 241 A CB -0.410 18.595 19.000 0.008 0.000 0.807 241 A HN 0.400 nan 8.150 nan 0.000 0.453 242 K N 0.282 120.686 120.400 0.007 0.000 1.965 242 K HA -0.024 4.296 4.320 0.000 0.000 0.214 242 K C 2.133 178.750 176.600 0.028 0.000 1.042 242 K CA 1.645 57.935 56.287 0.007 0.000 0.950 242 K CB -0.929 31.562 32.500 -0.014 0.000 0.733 242 K HN 0.311 nan 8.250 nan 0.000 0.441 243 A N 0.183 123.026 122.820 0.039 0.000 2.084 243 A HA -0.035 4.285 4.320 0.000 0.000 0.221 243 A C 1.405 179.060 177.584 0.118 0.000 1.161 243 A CA 2.010 54.105 52.037 0.097 0.000 0.653 243 A CB -1.008 18.094 19.000 0.170 0.000 0.802 243 A HN 0.757 nan 8.150 nan 0.000 0.457 244 G N -1.318 107.543 108.800 0.102 0.000 2.246 244 G HA2 -0.235 3.725 3.960 0.000 0.000 0.273 244 G HA3 -0.235 3.725 3.960 0.000 0.000 0.273 244 G C -0.045 174.918 174.900 0.104 0.000 1.055 244 G CA 0.597 45.748 45.100 0.085 0.000 0.851 244 G HN 0.467 nan 8.290 nan 0.000 0.500 245 K N 0.436 120.945 120.400 0.181 0.000 2.203 245 K HA 0.524 4.844 4.320 0.000 0.000 0.251 245 K C -2.048 174.637 176.600 0.141 0.000 0.944 245 K CA -2.030 54.340 56.287 0.139 0.000 0.829 245 K CB 2.382 34.962 32.500 0.132 0.000 1.125 245 K HN 0.134 nan 8.250 nan 0.000 0.430 246 P HA 0.088 nan 4.420 nan 0.000 0.271 246 P C -0.614 176.748 177.300 0.104 0.000 1.233 246 P CA -0.431 62.703 63.100 0.057 0.000 0.789 246 P CB 0.788 32.495 31.700 0.012 0.000 0.951 247 L N 2.228 123.514 121.223 0.105 0.000 2.436 247 L HA 0.419 4.759 4.340 0.000 0.000 0.268 247 L C -1.063 175.864 176.870 0.094 0.000 0.974 247 L CA -1.037 53.883 54.840 0.133 0.000 0.826 247 L CB 1.829 43.971 42.059 0.138 0.000 1.291 247 L HN 0.293 nan 8.230 nan 0.000 0.406 248 L N 5.008 126.286 121.223 0.093 0.000 2.331 248 L HA 0.647 4.987 4.340 0.000 0.000 0.275 248 L C -1.097 175.825 176.870 0.087 0.000 1.022 248 L CA -0.368 54.520 54.840 0.079 0.000 0.812 248 L CB 1.930 44.023 42.059 0.057 0.000 1.257 248 L HN 0.567 nan 8.230 nan 0.000 0.435 249 I N 4.362 124.986 120.570 0.089 0.000 2.828 249 I HA 0.584 4.754 4.170 0.000 0.000 0.302 249 I C -0.427 175.749 176.117 0.098 0.000 1.101 249 I CA -0.316 61.034 61.300 0.083 0.000 1.031 249 I CB 2.209 40.249 38.000 0.067 0.000 1.231 249 I HN 0.414 nan 8.210 nan 0.000 0.427 250 I N 2.868 123.488 120.570 0.083 0.000 2.775 250 I HA 0.862 5.032 4.170 0.000 0.000 0.295 250 I C -0.475 175.668 176.117 0.044 0.000 1.287 250 I CA -0.447 60.904 61.300 0.085 0.000 1.029 250 I CB 2.030 40.103 38.000 0.121 0.000 1.282 250 I HN 0.813 nan 8.210 nan 0.000 0.426 251 A N 3.727 126.559 122.820 0.020 0.000 2.375 251 A HA 0.458 4.778 4.320 0.000 0.000 0.299 251 A C -0.206 177.365 177.584 -0.023 0.000 1.044 251 A CA -0.444 51.592 52.037 -0.003 0.000 0.585 251 A CB 0.524 19.525 19.000 0.002 0.000 1.438 251 A HN 0.587 nan 8.150 nan 0.000 0.574 252 E N -0.041 120.139 120.200 -0.032 0.000 2.204 252 E HA 0.189 4.539 4.350 0.000 0.000 0.195 252 E C 0.167 176.750 176.600 -0.028 0.000 0.990 252 E CA 2.097 58.471 56.400 -0.043 0.000 0.821 252 E CB 0.048 29.719 29.700 -0.049 0.000 0.750 252 E HN 0.649 nan 8.360 nan 0.000 0.477 253 D N -3.401 116.991 120.400 -0.014 0.000 2.960 253 D HA 0.098 4.738 4.640 0.000 0.000 0.317 253 D C -1.925 174.378 176.300 0.004 0.000 1.298 253 D CA -0.321 53.677 54.000 -0.002 0.000 0.725 253 D CB 0.445 41.242 40.800 -0.005 0.000 1.281 253 D HN -0.231 nan 8.370 nan 0.000 0.446 254 V N 1.208 121.127 119.914 0.009 0.000 2.697 254 V HA 0.430 4.550 4.120 0.000 0.000 0.296 254 V C -0.880 175.217 176.094 0.004 0.000 1.140 254 V CA -0.781 61.524 62.300 0.007 0.000 0.921 254 V CB 1.566 33.398 31.823 0.015 0.000 1.036 254 V HN 0.500 nan 8.190 nan 0.000 0.438 255 E N 2.134 122.333 120.200 -0.003 0.000 2.349 255 E HA 0.487 4.837 4.350 0.000 0.000 0.265 255 E C 1.429 178.020 176.600 -0.015 0.000 1.064 255 E CA 0.598 56.995 56.400 -0.006 0.000 0.886 255 E CB 1.297 30.993 29.700 -0.008 0.000 1.036 255 E HN 0.721 nan 8.360 nan 0.000 0.413 256 G N 1.939 110.728 108.800 -0.019 0.000 2.550 256 G HA2 -0.386 3.574 3.960 0.000 0.000 0.222 256 G HA3 -0.386 3.574 3.960 0.000 0.000 0.222 256 G C 1.276 176.147 174.900 -0.048 0.000 1.113 256 G CA 1.016 46.092 45.100 -0.039 0.000 0.748 256 G HN 0.598 nan 8.290 nan 0.000 0.585 257 E N 1.088 121.268 120.200 -0.034 0.000 2.065 257 E HA -0.242 4.108 4.350 0.000 0.000 0.201 257 E C 2.739 179.316 176.600 -0.037 0.000 1.016 257 E CA 1.749 58.129 56.400 -0.034 0.000 0.818 257 E CB -0.459 29.227 29.700 -0.023 0.000 0.749 257 E HN 0.369 nan 8.360 nan 0.000 0.453 258 A N 0.940 123.742 122.820 -0.030 0.000 1.872 258 A HA -0.059 4.261 4.320 0.000 0.000 0.214 258 A C 2.538 180.099 177.584 -0.038 0.000 1.187 258 A CA 1.156 53.177 52.037 -0.027 0.000 0.614 258 A CB -0.669 18.322 19.000 -0.015 0.000 0.826 258 A HN 0.280 nan 8.150 nan 0.000 0.442 259 L N -0.424 120.772 121.223 -0.045 0.000 1.970 259 L HA -0.229 4.111 4.340 0.000 0.000 0.212 259 L C 3.097 179.895 176.870 -0.120 0.000 1.071 259 L CA 1.261 56.060 54.840 -0.069 0.000 0.751 259 L CB -0.998 41.021 42.059 -0.066 0.000 0.889 259 L HN 0.432 nan 8.230 nan 0.000 0.432 260 A N -0.016 122.723 122.820 -0.136 0.000 1.859 260 A HA -0.392 3.928 4.320 0.000 0.000 0.218 260 A C 2.427 179.933 177.584 -0.132 0.000 1.242 260 A CA 3.346 55.282 52.037 -0.168 0.000 0.661 260 A CB -1.517 17.411 19.000 -0.119 0.000 0.842 260 A HN 0.464 nan 8.150 nan 0.000 0.455 261 T N -1.116 113.387 114.554 -0.085 0.000 2.653 261 T HA -0.226 4.124 4.350 0.000 0.000 0.268 261 T C 1.792 176.457 174.700 -0.059 0.000 1.035 261 T CA 2.082 64.145 62.100 -0.062 0.000 1.154 261 T CB -0.558 68.284 68.868 -0.042 0.000 0.862 261 T HN 0.483 nan 8.240 nan 0.000 0.441 262 L N 1.278 122.467 121.223 -0.057 0.000 2.043 262 L HA -0.051 4.289 4.340 0.000 0.000 0.212 262 L C 2.519 179.359 176.870 -0.051 0.000 1.075 262 L CA 1.753 56.568 54.840 -0.041 0.000 0.752 262 L CB -0.997 41.042 42.059 -0.033 0.000 0.891 262 L HN 0.249 nan 8.230 nan 0.000 0.432 263 V N -0.826 119.028 119.914 -0.100 0.000 2.214 263 V HA -0.352 3.768 4.120 0.000 0.000 0.247 263 V C 2.460 178.517 176.094 -0.061 0.000 1.051 263 V CA 2.131 64.363 62.300 -0.114 0.000 1.003 263 V CB -0.973 30.684 31.823 -0.275 0.000 0.635 263 V HN 0.369 nan 8.190 nan 0.000 0.447 264 V N 0.724 120.596 119.914 -0.070 0.000 2.568 264 V HA -0.232 3.888 4.120 0.000 0.000 0.253 264 V C 2.253 178.335 176.094 -0.020 0.000 1.072 264 V CA 1.863 64.140 62.300 -0.038 0.000 1.084 264 V CB -1.068 30.730 31.823 -0.042 0.000 0.676 264 V HN 0.560 nan 8.190 nan 0.000 0.469 265 N N 1.020 119.708 118.700 -0.020 0.000 2.062 265 N HA -0.146 4.594 4.740 0.000 0.000 0.191 265 N C 2.213 177.725 175.510 0.003 0.000 1.042 265 N CA 2.360 55.405 53.050 -0.008 0.000 0.845 265 N CB -0.729 37.754 38.487 -0.007 0.000 1.024 265 N HN 0.682 nan 8.380 nan 0.000 0.424 266 T N -0.604 113.953 114.554 0.006 0.000 2.803 266 T HA -0.138 4.212 4.350 0.000 0.000 0.269 266 T C 2.033 176.745 174.700 0.020 0.000 1.052 266 T CA 1.082 63.193 62.100 0.019 0.000 1.136 266 T CB -0.135 68.748 68.868 0.026 0.000 0.864 266 T HN -0.079 nan 8.240 nan 0.000 0.467 267 M N 1.969 121.577 119.600 0.014 0.000 2.139 267 M HA 0.141 4.621 4.480 0.000 0.000 0.260 267 M C 3.147 179.455 176.300 0.014 0.000 1.078 267 M CA 2.467 57.777 55.300 0.017 0.000 1.106 267 M CB -1.256 31.350 32.600 0.010 0.000 1.275 267 M HN 0.388 nan 8.290 nan 0.000 0.425 268 R N 0.155 120.660 120.500 0.007 0.000 2.294 268 R HA 0.021 4.361 4.340 0.000 0.000 0.250 268 R C 1.712 178.018 176.300 0.010 0.000 1.181 268 R CA 1.918 58.022 56.100 0.006 0.000 1.016 268 R CB -2.290 28.011 30.300 0.002 0.000 0.869 268 R HN 0.992 nan 8.270 nan 0.000 0.476 269 G N -1.411 107.396 108.800 0.013 0.000 2.131 269 G HA2 -0.221 3.739 3.960 0.000 0.000 0.223 269 G HA3 -0.221 3.739 3.960 0.000 0.000 0.223 269 G C 0.976 175.885 174.900 0.015 0.000 0.990 269 G CA 0.371 45.480 45.100 0.015 0.000 0.671 269 G HN 0.534 nan 8.290 nan 0.000 0.521 270 I N -0.356 120.222 120.570 0.013 0.000 2.193 270 I HA 0.105 4.275 4.170 0.000 0.000 0.240 270 I C 1.248 177.376 176.117 0.019 0.000 1.084 270 I CA 1.870 63.177 61.300 0.012 0.000 1.365 270 I CB -0.082 37.922 38.000 0.006 0.000 1.064 270 I HN 0.493 nan 8.210 nan 0.000 0.410 271 V N -1.510 118.417 119.914 0.021 0.000 2.614 271 V HA 0.318 4.438 4.120 0.000 0.000 0.281 271 V C -0.678 175.437 176.094 0.036 0.000 1.031 271 V CA -1.130 61.190 62.300 0.032 0.000 0.899 271 V CB 0.883 32.724 31.823 0.030 0.000 1.037 271 V HN 0.099 nan 8.190 nan 0.000 0.456 272 K N 3.511 123.936 120.400 0.040 0.000 2.307 272 K HA 0.584 4.904 4.320 0.000 0.000 0.285 272 K C -0.496 176.134 176.600 0.051 0.000 1.073 272 K CA 0.126 56.438 56.287 0.042 0.000 0.996 272 K CB 0.949 33.472 32.500 0.038 0.000 0.994 272 K HN 0.683 nan 8.250 nan 0.000 0.452 273 V N 0.600 120.545 119.914 0.051 0.000 3.202 273 V HA 0.844 4.964 4.120 0.000 0.000 0.306 273 V C -1.036 175.096 176.094 0.064 0.000 1.283 273 V CA -1.090 61.246 62.300 0.059 0.000 1.065 273 V CB 2.090 33.945 31.823 0.054 0.000 1.079 273 V HN 0.823 nan 8.190 nan 0.000 0.448 274 A N 0.244 123.108 122.820 0.074 0.000 2.522 274 A HA 0.988 5.308 4.320 0.000 0.000 0.294 274 A C -1.215 176.428 177.584 0.097 0.000 1.001 274 A CA 0.037 52.127 52.037 0.088 0.000 0.642 274 A CB 1.005 20.082 19.000 0.129 0.000 1.326 274 A HN 2.401 nan 8.150 nan 0.000 0.435 275 A N -0.555 122.330 122.820 0.107 0.000 2.556 275 A HA 0.986 5.306 4.320 0.000 0.000 0.294 275 A C -0.592 177.078 177.584 0.143 0.000 1.091 275 A CA -0.064 52.040 52.037 0.111 0.000 0.704 275 A CB 1.382 20.429 19.000 0.078 0.000 1.300 275 A HN 2.438 nan 8.150 nan 0.000 0.406 276 V N -1.323 118.681 119.914 0.149 0.000 2.971 276 V HA 0.697 4.817 4.120 0.000 0.000 0.309 276 V C -0.352 175.812 176.094 0.118 0.000 1.130 276 V CA -0.988 61.411 62.300 0.166 0.000 0.964 276 V CB 1.500 33.464 31.823 0.235 0.000 1.029 276 V HN 1.126 nan 8.190 nan 0.000 0.427 277 K N 2.359 122.797 120.400 0.063 0.000 2.319 277 K HA 0.651 4.971 4.320 0.000 0.000 0.265 277 K C 0.626 177.159 176.600 -0.112 0.000 1.000 277 K CA 0.365 56.646 56.287 -0.011 0.000 0.943 277 K CB 1.245 33.728 32.500 -0.028 0.000 0.950 277 K HN 1.260 nan 8.250 nan 0.000 0.485 278 A N 4.679 127.422 122.820 -0.129 0.000 2.261 278 A HA 0.176 4.496 4.320 0.000 0.000 0.275 278 A C -1.758 175.591 177.584 -0.391 0.000 1.246 278 A CA -0.878 51.023 52.037 -0.227 0.000 0.810 278 A CB -0.807 18.126 19.000 -0.111 0.000 1.168 278 A HN 0.759 nan 8.150 nan 0.000 0.506 279 P HA -0.007 nan 4.420 nan 0.000 0.211 279 P C 1.158 178.348 177.300 -0.182 0.000 0.969 279 P CA 2.002 64.910 63.100 -0.318 0.000 0.938 279 P CB -0.019 31.582 31.700 -0.165 0.000 0.603 280 G N -2.670 106.081 108.800 -0.082 0.000 2.524 280 G HA2 0.187 4.147 3.960 0.000 0.000 0.172 280 G HA3 0.187 4.147 3.960 0.000 0.000 0.172 280 G C -0.601 174.322 174.900 0.039 0.000 1.636 280 G CA 0.040 45.132 45.100 -0.014 0.000 0.732 280 G HN 0.263 nan 8.290 nan 0.000 0.753 281 F N 2.475 122.392 119.950 -0.055 0.000 2.380 281 F HA 0.547 5.074 4.527 0.000 0.000 0.325 281 F C 1.564 177.338 175.800 -0.043 0.000 1.136 281 F CA 0.120 58.093 58.000 -0.044 0.000 1.171 281 F CB 1.346 40.320 39.000 -0.044 0.000 1.230 281 F HN 0.364 nan 8.300 nan 0.000 0.554 282 G N 2.189 110.162 108.800 -1.379 0.000 2.863 282 G HA2 -0.351 3.609 3.960 0.000 0.000 0.217 282 G HA3 -0.351 3.609 3.960 0.000 0.000 0.217 282 G C 1.176 175.814 174.900 -0.438 0.000 1.315 282 G CA 1.241 45.804 45.100 -0.896 0.000 0.796 282 G HN 0.762 nan 8.290 nan 0.000 0.669 283 D N 0.116 120.335 120.400 -0.302 0.000 2.228 283 D HA -0.113 4.527 4.640 0.000 0.000 0.203 283 D C 2.223 178.551 176.300 0.047 0.000 0.988 283 D CA 0.910 54.913 54.000 0.005 0.000 0.864 283 D CB -0.091 40.811 40.800 0.171 0.000 0.928 283 D HN 0.387 nan 8.370 nan 0.000 0.469 284 R N 1.220 121.783 120.500 0.104 0.000 2.124 284 R HA -0.130 4.210 4.340 0.000 0.000 0.215 284 R C 2.575 178.876 176.300 0.002 0.000 1.145 284 R CA 1.256 57.401 56.100 0.076 0.000 0.898 284 R CB -0.120 30.258 30.300 0.129 0.000 0.790 284 R HN 0.059 nan 8.270 nan 0.000 0.458 285 R N 0.960 121.440 120.500 -0.033 0.000 2.191 285 R HA -0.265 4.075 4.340 0.000 0.000 0.248 285 R C 2.119 178.393 176.300 -0.042 0.000 1.127 285 R CA 2.475 58.539 56.100 -0.061 0.000 0.943 285 R CB -0.899 29.344 30.300 -0.095 0.000 0.891 285 R HN 0.324 nan 8.270 nan 0.000 0.439 286 K N 0.741 121.106 120.400 -0.058 0.000 2.020 286 K HA -0.123 4.197 4.320 0.000 0.000 0.212 286 K C 2.452 179.042 176.600 -0.016 0.000 1.050 286 K CA 1.672 57.934 56.287 -0.042 0.000 0.929 286 K CB -0.435 32.028 32.500 -0.063 0.000 0.714 286 K HN 0.410 nan 8.250 nan 0.000 0.443 287 A N 1.250 124.065 122.820 -0.010 0.000 2.032 287 A HA -0.146 4.174 4.320 0.000 0.000 0.221 287 A C 1.167 178.759 177.584 0.013 0.000 1.165 287 A CA 1.339 53.379 52.037 0.005 0.000 0.645 287 A CB -0.435 18.572 19.000 0.012 0.000 0.807 287 A HN 0.264 nan 8.150 nan 0.000 0.453 288 M N -0.517 119.092 119.600 0.014 0.000 2.027 288 M HA 0.532 5.012 4.480 0.000 0.000 0.329 288 M C -0.273 176.053 176.300 0.043 0.000 0.971 288 M CA 0.053 55.373 55.300 0.033 0.000 0.933 288 M CB 1.199 33.824 32.600 0.042 0.000 1.392 288 M HN 0.242 nan 8.290 nan 0.000 0.394 289 L N -0.298 120.951 121.223 0.043 0.000 1.382 289 L HA -0.032 4.308 4.340 0.000 0.000 0.119 289 L C 1.517 178.412 176.870 0.042 0.000 1.393 289 L CA 0.032 54.901 54.840 0.050 0.000 1.170 289 L CB -0.388 41.690 42.059 0.031 0.000 2.429 289 L HN 0.432 nan 8.230 nan 0.000 0.470 290 Q N 1.974 121.791 119.800 0.029 0.000 2.047 290 Q HA -0.277 4.063 4.340 0.000 0.000 0.211 290 Q C 1.314 177.331 176.000 0.028 0.000 1.005 290 Q CA 2.593 58.410 55.803 0.024 0.000 0.866 290 Q CB -1.100 27.649 28.738 0.018 0.000 0.938 290 Q HN 0.723 nan 8.270 nan 0.000 0.414 291 D N 0.964 121.382 120.400 0.030 0.000 2.230 291 D HA -0.253 4.387 4.640 0.000 0.000 0.189 291 D C 1.724 178.044 176.300 0.033 0.000 1.006 291 D CA 2.002 56.020 54.000 0.030 0.000 0.853 291 D CB -0.748 40.073 40.800 0.035 0.000 0.959 291 D HN 0.366 nan 8.370 nan 0.000 0.449 292 I N 1.085 121.683 120.570 0.046 0.000 2.068 292 I HA -0.348 3.822 4.170 0.000 0.000 0.238 292 I C 2.715 178.854 176.117 0.038 0.000 1.046 292 I CA 1.579 62.908 61.300 0.049 0.000 1.306 292 I CB -0.792 37.255 38.000 0.079 0.000 1.023 292 I HN 0.201 nan 8.210 nan 0.000 0.399 293 A N 1.353 124.198 122.820 0.041 0.000 1.862 293 A HA -0.339 3.981 4.320 0.000 0.000 0.214 293 A C 2.464 180.066 177.584 0.030 0.000 1.228 293 A CA 3.755 55.815 52.037 0.037 0.000 0.665 293 A CB -1.686 17.335 19.000 0.034 0.000 0.845 293 A HN 0.585 nan 8.150 nan 0.000 0.459 294 T N -1.011 113.558 114.554 0.026 0.000 2.693 294 T HA -0.347 4.003 4.350 0.000 0.000 0.263 294 T C 1.778 176.489 174.700 0.019 0.000 1.046 294 T CA 2.162 64.275 62.100 0.021 0.000 1.160 294 T CB -1.077 67.802 68.868 0.018 0.000 0.853 294 T HN 0.469 nan 8.240 nan 0.000 0.462 295 L N 1.615 122.849 121.223 0.018 0.000 1.943 295 L HA -0.144 4.196 4.340 0.000 0.000 0.215 295 L C 3.001 179.877 176.870 0.010 0.000 1.074 295 L CA 2.653 57.500 54.840 0.012 0.000 0.759 295 L CB -1.021 41.044 42.059 0.010 0.000 0.888 295 L HN 0.648 nan 8.230 nan 0.000 0.433 296 T N -2.644 111.918 114.554 0.013 0.000 3.098 296 T HA 0.088 4.438 4.350 0.000 0.000 0.266 296 T C 1.223 175.938 174.700 0.026 0.000 1.145 296 T CA 0.517 62.625 62.100 0.013 0.000 1.092 296 T CB -0.430 68.448 68.868 0.017 0.000 0.908 296 T HN 0.795 nan 8.240 nan 0.000 0.526 297 G N 0.332 109.149 108.800 0.028 0.000 2.204 297 G HA2 0.085 4.045 3.960 0.000 0.000 0.244 297 G HA3 0.085 4.045 3.960 0.000 0.000 0.244 297 G C 0.208 175.135 174.900 0.045 0.000 1.062 297 G CA -0.315 44.805 45.100 0.034 0.000 0.798 297 G HN 0.993 nan 8.290 nan 0.000 0.496 298 G N -1.445 107.381 108.800 0.044 0.000 2.552 298 G HA2 0.710 4.670 3.960 0.000 0.000 0.318 298 G HA3 0.710 4.670 3.960 0.000 0.000 0.318 298 G C -0.266 174.655 174.900 0.034 0.000 1.240 298 G CA 0.109 45.238 45.100 0.048 0.000 1.002 298 G HN 0.643 nan 8.290 nan 0.000 0.493 299 T N 1.055 115.626 114.554 0.029 0.000 3.060 299 T HA 0.353 4.703 4.350 0.000 0.000 0.367 299 T C 0.303 175.013 174.700 0.017 0.000 1.229 299 T CA -0.240 61.871 62.100 0.019 0.000 1.104 299 T CB 0.791 69.665 68.868 0.011 0.000 1.083 299 T HN 0.393 nan 8.240 nan 0.000 0.524 300 V N 4.232 124.156 119.914 0.017 0.000 2.814 300 V HA 0.038 4.158 4.120 0.000 0.000 0.307 300 V C 0.814 176.913 176.094 0.007 0.000 1.089 300 V CA 0.111 62.420 62.300 0.015 0.000 1.212 300 V CB 0.108 31.938 31.823 0.013 0.000 0.912 300 V HN 0.743 nan 8.190 nan 0.000 0.497 301 I N 4.376 124.949 120.570 0.005 0.000 2.291 301 I HA 0.120 4.290 4.170 0.000 0.000 0.292 301 I C 0.850 176.964 176.117 -0.006 0.000 1.064 301 I CA 0.021 61.320 61.300 -0.001 0.000 1.269 301 I CB 1.260 39.259 38.000 -0.002 0.000 1.418 301 I HN 0.808 nan 8.210 nan 0.000 0.485 302 S N 4.999 120.695 115.700 -0.006 0.000 4.117 302 S HA -0.003 4.467 4.470 0.000 0.000 0.191 302 S C 1.238 175.831 174.600 -0.012 0.000 1.308 302 S CA -0.471 57.724 58.200 -0.009 0.000 0.906 302 S CB -0.017 63.179 63.200 -0.008 0.000 1.565 302 S HN 0.683 nan 8.310 nan 0.000 0.439 303 E N 2.077 122.269 120.200 -0.014 0.000 2.333 303 E HA -0.235 4.115 4.350 0.000 0.000 0.200 303 E C 0.883 177.473 176.600 -0.017 0.000 1.010 303 E CA 1.407 57.798 56.400 -0.016 0.000 0.841 303 E CB 0.051 29.740 29.700 -0.018 0.000 0.757 303 E HN 0.919 nan 8.360 nan 0.000 0.508 304 E N -0.891 119.298 120.200 -0.018 0.000 2.389 304 E HA 0.076 4.426 4.350 0.000 0.000 0.199 304 E C 0.712 177.303 176.600 -0.014 0.000 0.978 304 E CA -0.095 56.294 56.400 -0.018 0.000 0.912 304 E CB 0.427 30.114 29.700 -0.022 0.000 0.907 304 E HN 0.122 nan 8.360 nan 0.000 0.494 305 I N -0.473 120.090 120.570 -0.012 0.000 4.771 305 I HA 0.178 4.348 4.170 0.000 0.000 0.197 305 I C 1.645 177.757 176.117 -0.008 0.000 1.440 305 I CA -0.374 60.920 61.300 -0.009 0.000 1.385 305 I CB -0.509 37.486 38.000 -0.008 0.000 1.556 305 I HN -0.125 nan 8.210 nan 0.000 0.583 306 G N 0.922 109.718 108.800 -0.007 0.000 3.352 306 G HA2 0.313 4.273 3.960 0.000 0.000 0.236 306 G HA3 0.313 4.273 3.960 0.000 0.000 0.236 306 G C 0.004 174.899 174.900 -0.007 0.000 1.324 306 G CA 0.321 45.417 45.100 -0.007 0.000 1.404 306 G HN 0.230 nan 8.290 nan 0.000 0.542 307 M N -1.259 118.336 119.600 -0.008 0.000 2.716 307 M HA 0.523 5.003 4.480 0.000 0.000 0.278 307 M C -0.972 175.322 176.300 -0.010 0.000 1.281 307 M CA -0.692 54.603 55.300 -0.009 0.000 0.814 307 M CB 2.487 35.082 32.600 -0.008 0.000 1.719 307 M HN 0.102 nan 8.290 nan 0.000 0.457 308 E N -0.355 119.839 120.200 -0.010 0.000 2.460 308 E HA 0.420 4.770 4.350 0.000 0.000 0.277 308 E C -0.651 175.942 176.600 -0.011 0.000 1.010 308 E CA -0.921 55.472 56.400 -0.011 0.000 0.838 308 E CB 1.454 31.147 29.700 -0.011 0.000 1.448 308 E HN 0.307 nan 8.360 nan 0.000 0.462 309 L N 0.955 122.171 121.223 -0.011 0.000 1.998 309 L HA -0.254 4.086 4.340 0.000 0.000 0.244 309 L C 1.889 178.751 176.870 -0.013 0.000 1.083 309 L CA 1.805 56.638 54.840 -0.011 0.000 0.866 309 L CB -0.935 41.117 42.059 -0.011 0.000 0.918 309 L HN 0.601 nan 8.230 nan 0.000 0.426 310 E N -0.173 120.018 120.200 -0.015 0.000 2.208 310 E HA -0.214 4.136 4.350 0.000 0.000 0.202 310 E C 0.989 177.578 176.600 -0.019 0.000 1.014 310 E CA 0.824 57.214 56.400 -0.018 0.000 0.819 310 E CB -0.571 29.118 29.700 -0.017 0.000 0.735 310 E HN 0.119 nan 8.360 nan 0.000 0.469 311 K N 1.328 121.719 120.400 -0.016 0.000 1.871 311 K HA 0.129 4.449 4.320 0.000 0.000 0.214 311 K C -0.977 175.613 176.600 -0.017 0.000 1.145 311 K CA 0.669 56.946 56.287 -0.015 0.000 1.263 311 K CB -1.267 31.225 32.500 -0.013 0.000 1.075 311 K HN 0.157 nan 8.250 nan 0.000 0.261 312 A N 1.903 124.711 122.820 -0.021 0.000 2.606 312 A HA 0.262 4.582 4.320 0.000 0.000 0.303 312 A C -0.650 176.913 177.584 -0.036 0.000 0.981 312 A CA -0.808 51.214 52.037 -0.024 0.000 0.742 312 A CB 0.414 19.402 19.000 -0.021 0.000 1.229 312 A HN 0.323 nan 8.150 nan 0.000 0.401 313 T N 2.688 117.218 114.554 -0.040 0.000 2.918 313 T HA 0.462 4.812 4.350 0.000 0.000 0.283 313 T C 1.857 176.504 174.700 -0.088 0.000 1.001 313 T CA 0.122 62.187 62.100 -0.058 0.000 1.041 313 T CB 0.683 69.522 68.868 -0.048 0.000 1.028 313 T HN 1.417 nan 8.240 nan 0.000 0.511 314 L N 1.111 122.254 121.223 -0.132 0.000 2.187 314 L HA -0.072 4.268 4.340 0.000 0.000 0.213 314 L C 1.932 178.659 176.870 -0.239 0.000 1.100 314 L CA 1.444 56.140 54.840 -0.240 0.000 0.765 314 L CB -1.650 40.227 42.059 -0.304 0.000 0.904 314 L HN 0.633 nan 8.230 nan 0.000 0.437 315 E N -0.487 119.636 120.200 -0.128 0.000 2.347 315 E HA -0.136 4.214 4.350 0.000 0.000 0.196 315 E C 1.489 178.079 176.600 -0.017 0.000 1.008 315 E CA 0.996 57.362 56.400 -0.057 0.000 0.852 315 E CB -0.905 28.778 29.700 -0.027 0.000 0.783 315 E HN 0.523 nan 8.360 nan 0.000 0.505 316 D N 0.931 121.312 120.400 -0.030 0.000 2.178 316 D HA -0.049 4.591 4.640 0.000 0.000 0.202 316 D C 0.729 177.041 176.300 0.020 0.000 0.974 316 D CA 0.478 54.475 54.000 -0.005 0.000 0.841 316 D CB -0.038 40.754 40.800 -0.013 0.000 0.953 316 D HN 0.254 nan 8.370 nan 0.000 0.478 317 L N 0.614 121.846 121.223 0.015 0.000 2.492 317 L HA 0.128 4.468 4.340 0.000 0.000 0.280 317 L C 1.371 178.331 176.870 0.151 0.000 1.240 317 L CA -0.075 54.816 54.840 0.084 0.000 0.831 317 L CB 0.265 42.381 42.059 0.094 0.000 1.100 317 L HN -0.072 nan 8.230 nan 0.000 0.505 318 G N 0.524 109.416 108.800 0.154 0.000 2.462 318 G HA2 0.592 4.552 3.960 0.000 0.000 0.319 318 G HA3 0.592 4.552 3.960 0.000 0.000 0.319 318 G C -1.135 173.848 174.900 0.138 0.000 1.171 318 G CA -0.375 44.798 45.100 0.122 0.000 0.920 318 G HN 0.501 nan 8.290 nan 0.000 0.499 319 Q N -1.094 118.738 119.800 0.054 0.000 2.372 319 Q HA 0.749 5.089 4.340 0.000 0.000 0.273 319 Q C -0.378 175.582 176.000 -0.067 0.000 1.078 319 Q CA -0.394 55.372 55.803 -0.061 0.000 0.806 319 Q CB 2.411 31.086 28.738 -0.104 0.000 1.332 319 Q HN 0.923 nan 8.270 nan 0.000 0.435 320 A N 1.074 123.831 122.820 -0.105 0.000 2.587 320 A HA 0.509 4.829 4.320 0.000 0.000 0.293 320 A C -0.050 177.477 177.584 -0.095 0.000 1.087 320 A CA -0.729 51.260 52.037 -0.080 0.000 0.692 320 A CB 1.160 20.122 19.000 -0.062 0.000 1.291 320 A HN 0.638 nan 8.150 nan 0.000 0.407 321 K N -0.151 120.205 120.400 -0.074 0.000 2.015 321 K HA -0.159 4.161 4.320 0.000 0.000 0.220 321 K C 1.109 177.664 176.600 -0.075 0.000 1.055 321 K CA 2.175 58.420 56.287 -0.070 0.000 0.951 321 K CB 0.021 32.489 32.500 -0.054 0.000 0.725 321 K HN 0.635 nan 8.250 nan 0.000 0.449 322 R N -1.241 119.219 120.500 -0.068 0.000 2.921 322 R HA 0.257 4.597 4.340 0.000 0.000 0.268 322 R C -1.907 174.356 176.300 -0.061 0.000 1.008 322 R CA -0.445 55.618 56.100 -0.062 0.000 0.876 322 R CB 1.248 31.517 30.300 -0.050 0.000 1.395 322 R HN 0.029 nan 8.270 nan 0.000 0.443 323 V N -1.502 118.380 119.914 -0.054 0.000 3.159 323 V HA 0.845 4.965 4.120 0.000 0.000 0.308 323 V C -1.486 174.574 176.094 -0.057 0.000 1.190 323 V CA -0.689 61.574 62.300 -0.063 0.000 1.037 323 V CB 2.194 33.984 31.823 -0.056 0.000 1.060 323 V HN 0.410 nan 8.190 nan 0.000 0.437 324 V N 2.852 122.722 119.914 -0.074 0.000 2.567 324 V HA 0.666 4.786 4.120 0.000 0.000 0.298 324 V C -1.030 175.007 176.094 -0.094 0.000 1.047 324 V CA -0.081 62.176 62.300 -0.072 0.000 0.880 324 V CB 1.329 33.110 31.823 -0.070 0.000 1.009 324 V HN 0.823 nan 8.190 nan 0.000 0.429 325 I N 5.399 125.907 120.570 -0.105 0.000 2.689 325 I HA 0.654 4.824 4.170 0.000 0.000 0.299 325 I C -0.036 175.895 176.117 -0.310 0.000 1.059 325 I CA -0.304 60.896 61.300 -0.166 0.000 1.055 325 I CB 2.282 40.209 38.000 -0.122 0.000 1.243 325 I HN 0.777 nan 8.210 nan 0.000 0.425 326 N N 2.661 121.134 118.700 -0.378 0.000 3.283 326 N HA 0.354 5.094 4.740 0.000 0.000 0.338 326 N C -0.152 175.001 175.510 -0.595 0.000 1.517 326 N CA -0.719 52.051 53.050 -0.465 0.000 0.733 326 N CB 0.765 39.125 38.487 -0.212 0.000 1.797 326 N HN 0.214 nan 8.380 nan 0.000 0.637 327 K N -0.361 119.837 120.400 -0.337 0.000 2.551 327 K HA 0.183 4.503 4.320 0.000 0.000 0.192 327 K C -0.339 176.261 176.600 -0.001 0.000 1.027 327 K CA 0.703 56.946 56.287 -0.073 0.000 1.059 327 K CB 0.036 32.594 32.500 0.096 0.000 0.831 327 K HN 0.421 nan 8.250 nan 0.000 0.508 328 D N -1.540 118.837 120.400 -0.038 0.000 2.345 328 D HA 0.069 4.709 4.640 0.000 0.000 0.290 328 D C -0.215 176.112 176.300 0.045 0.000 1.107 328 D CA 0.327 54.337 54.000 0.018 0.000 0.836 328 D CB 1.169 41.978 40.800 0.016 0.000 1.406 328 D HN -0.068 nan 8.370 nan 0.000 0.532 329 T N -0.039 114.523 114.554 0.014 0.000 2.883 329 T HA 0.549 4.899 4.350 0.000 0.000 0.301 329 T C -0.706 173.999 174.700 0.008 0.000 1.158 329 T CA -0.323 61.813 62.100 0.060 0.000 1.007 329 T CB 2.798 71.680 68.868 0.024 0.000 1.186 329 T HN -0.294 nan 8.240 nan 0.000 0.499 330 T N 1.821 116.366 114.554 -0.014 0.000 2.900 330 T HA 0.768 5.118 4.350 0.000 0.000 0.295 330 T C -0.967 173.538 174.700 -0.325 0.000 1.044 330 T CA -0.613 61.386 62.100 -0.168 0.000 0.995 330 T CB 1.862 70.625 68.868 -0.175 0.000 1.072 330 T HN 0.612 nan 8.240 nan 0.000 0.473 331 T N 2.191 116.597 114.554 -0.247 0.000 2.993 331 T HA 0.533 4.883 4.350 0.000 0.000 0.312 331 T C -0.725 173.869 174.700 -0.176 0.000 1.115 331 T CA -0.557 61.408 62.100 -0.225 0.000 1.027 331 T CB 0.983 69.766 68.868 -0.142 0.000 1.116 331 T HN 0.450 nan 8.240 nan 0.000 0.464 332 I N 3.334 123.802 120.570 -0.171 0.000 2.336 332 I HA 0.352 4.522 4.170 0.000 0.000 0.292 332 I C 1.342 177.406 176.117 -0.089 0.000 0.991 332 I CA -0.731 60.497 61.300 -0.120 0.000 1.227 332 I CB 1.514 39.446 38.000 -0.113 0.000 1.366 332 I HN 0.692 nan 8.210 nan 0.000 0.466 333 I N 3.260 123.786 120.570 -0.073 0.000 2.226 333 I HA -0.143 4.027 4.170 0.000 0.000 0.245 333 I C 0.231 176.317 176.117 -0.052 0.000 1.100 333 I CA 1.510 62.775 61.300 -0.059 0.000 1.374 333 I CB -0.013 37.955 38.000 -0.053 0.000 1.057 333 I HN 0.666 nan 8.210 nan 0.000 0.413 334 D N -0.158 120.210 120.400 -0.052 0.000 2.085 334 D HA 0.135 4.775 4.640 0.000 0.000 0.147 334 D C -0.538 175.737 176.300 -0.042 0.000 1.121 334 D CA -0.076 53.898 54.000 -0.043 0.000 0.941 334 D CB 0.491 41.269 40.800 -0.036 0.000 2.846 334 D HN 0.104 nan 8.370 nan 0.000 0.517 335 G N 2.050 110.829 108.800 -0.035 0.000 2.391 335 G HA2 0.424 4.384 3.960 0.000 0.000 0.305 335 G HA3 0.424 4.384 3.960 0.000 0.000 0.305 335 G C 0.515 175.404 174.900 -0.018 0.000 1.072 335 G CA -0.430 44.654 45.100 -0.027 0.000 1.016 335 G HN 0.386 nan 8.290 nan 0.000 0.418 336 V N 2.790 122.692 119.914 -0.020 0.000 2.459 336 V HA 0.301 4.421 4.120 0.000 0.000 0.255 336 V C 1.160 177.254 176.094 -0.001 0.000 1.015 336 V CA 0.828 63.121 62.300 -0.012 0.000 1.163 336 V CB -0.425 31.389 31.823 -0.015 0.000 1.109 336 V HN 0.794 nan 8.190 nan 0.000 0.473 337 G N 3.624 112.423 108.800 -0.000 0.000 2.744 337 G HA2 0.502 4.462 3.960 0.000 0.000 0.286 337 G HA3 0.502 4.462 3.960 0.000 0.000 0.286 337 G C -0.566 174.336 174.900 0.004 0.000 1.497 337 G CA -0.659 44.444 45.100 0.005 0.000 1.070 337 G HN 0.626 nan 8.290 nan 0.000 0.539 338 E N 1.388 121.591 120.200 0.005 0.000 2.696 338 E HA -0.094 4.256 4.350 0.000 0.000 0.270 338 E C 0.542 177.144 176.600 0.004 0.000 0.958 338 E CA 0.368 56.770 56.400 0.004 0.000 0.964 338 E CB 1.101 30.804 29.700 0.006 0.000 0.948 338 E HN 0.521 nan 8.360 nan 0.000 0.472 339 E N 1.913 122.115 120.200 0.003 0.000 2.150 339 E HA -0.178 4.172 4.350 0.000 0.000 0.193 339 E C 1.843 178.446 176.600 0.004 0.000 0.985 339 E CA 1.231 57.633 56.400 0.003 0.000 0.814 339 E CB -0.256 29.445 29.700 0.001 0.000 0.752 339 E HN 0.605 nan 8.360 nan 0.000 0.466 340 A N 1.047 123.870 122.820 0.004 0.000 1.948 340 A HA -0.172 4.148 4.320 0.000 0.000 0.220 340 A C 2.332 179.919 177.584 0.006 0.000 1.177 340 A CA 2.130 54.170 52.037 0.005 0.000 0.636 340 A CB -0.760 18.243 19.000 0.005 0.000 0.815 340 A HN 0.302 nan 8.150 nan 0.000 0.449 341 A N -0.135 122.689 122.820 0.006 0.000 1.855 341 A HA 0.074 4.394 4.320 0.000 0.000 0.213 341 A C 2.078 179.667 177.584 0.008 0.000 1.195 341 A CA 1.166 53.207 52.037 0.008 0.000 0.610 341 A CB -0.573 18.433 19.000 0.009 0.000 0.837 341 A HN 0.466 nan 8.150 nan 0.000 0.444 342 I N -0.550 120.024 120.570 0.006 0.000 2.032 342 I HA -0.349 3.821 4.170 0.000 0.000 0.228 342 I C 2.654 178.775 176.117 0.006 0.000 1.030 342 I CA 1.858 63.162 61.300 0.006 0.000 1.318 342 I CB -0.792 37.210 38.000 0.004 0.000 1.049 342 I HN 0.260 nan 8.210 nan 0.000 0.387 343 Q N 1.079 120.883 119.800 0.005 0.000 2.290 343 Q HA -0.176 4.164 4.340 0.000 0.000 0.211 343 Q C 2.024 178.028 176.000 0.006 0.000 0.991 343 Q CA 1.785 57.591 55.803 0.005 0.000 0.893 343 Q CB -1.023 27.718 28.738 0.004 0.000 0.913 343 Q HN 0.704 nan 8.270 nan 0.000 0.428 344 G N 0.203 109.007 108.800 0.007 0.000 2.524 344 G HA2 -0.275 3.685 3.960 0.000 0.000 0.215 344 G HA3 -0.275 3.685 3.960 0.000 0.000 0.215 344 G C 1.333 176.238 174.900 0.008 0.000 1.239 344 G CA 0.367 45.471 45.100 0.007 0.000 0.798 344 G HN 0.148 nan 8.290 nan 0.000 0.557 345 R N 0.125 120.631 120.500 0.009 0.000 2.226 345 R HA -0.081 4.259 4.340 0.000 0.000 0.246 345 R C 2.518 178.825 176.300 0.011 0.000 1.161 345 R CA 0.898 57.004 56.100 0.011 0.000 0.997 345 R CB -0.718 29.589 30.300 0.013 0.000 0.870 345 R HN 0.402 nan 8.270 nan 0.000 0.465 346 V N -0.161 119.759 119.914 0.010 0.000 2.374 346 V HA -0.061 4.059 4.120 0.000 0.000 0.241 346 V C 2.492 178.591 176.094 0.009 0.000 1.034 346 V CA 1.368 63.674 62.300 0.009 0.000 1.037 346 V CB -0.903 30.925 31.823 0.008 0.000 0.682 346 V HN 0.257 nan 8.190 nan 0.000 0.463 347 A N 1.471 124.296 122.820 0.008 0.000 1.903 347 A HA -0.353 3.967 4.320 0.000 0.000 0.219 347 A C 2.124 179.713 177.584 0.008 0.000 1.191 347 A CA 2.588 54.629 52.037 0.007 0.000 0.638 347 A CB -0.766 18.238 19.000 0.006 0.000 0.823 347 A HN 0.763 nan 8.150 nan 0.000 0.451 348 Q N 0.056 119.861 119.800 0.008 0.000 2.508 348 Q HA 0.053 4.393 4.340 0.000 0.000 0.214 348 Q C 1.281 177.286 176.000 0.009 0.000 0.979 348 Q CA 1.665 57.473 55.803 0.008 0.000 0.911 348 Q CB -0.783 27.960 28.738 0.008 0.000 0.969 348 Q HN 0.712 nan 8.270 nan 0.000 0.504 349 I N -0.393 120.182 120.570 0.010 0.000 3.419 349 I HA -0.008 4.162 4.170 0.000 0.000 0.286 349 I C 1.676 177.799 176.117 0.010 0.000 1.268 349 I CA -0.128 61.178 61.300 0.011 0.000 1.414 349 I CB -0.089 37.918 38.000 0.012 0.000 1.074 349 I HN 0.128 nan 8.210 nan 0.000 0.457 350 R N 0.854 121.360 120.500 0.009 0.000 2.105 350 R HA -0.213 4.127 4.340 0.000 0.000 0.239 350 R C 2.120 178.426 176.300 0.010 0.000 1.135 350 R CA 1.290 57.395 56.100 0.009 0.000 0.967 350 R CB -0.627 29.678 30.300 0.008 0.000 0.861 350 R HN 0.362 nan 8.270 nan 0.000 0.442 351 Q N 1.224 121.029 119.800 0.009 0.000 2.096 351 Q HA -0.081 4.259 4.340 0.000 0.000 0.197 351 Q C 1.904 177.910 176.000 0.010 0.000 0.964 351 Q CA 1.541 57.349 55.803 0.009 0.000 0.838 351 Q CB -0.077 28.666 28.738 0.008 0.000 0.906 351 Q HN 0.395 nan 8.270 nan 0.000 0.444 352 Q N 0.057 119.863 119.800 0.010 0.000 2.077 352 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 352 Q C 2.073 178.081 176.000 0.013 0.000 0.989 352 Q CA 1.799 57.608 55.803 0.010 0.000 0.853 352 Q CB -0.327 28.417 28.738 0.010 0.000 0.907 352 Q HN 0.429 nan 8.270 nan 0.000 0.418 353 I N 1.407 121.985 120.570 0.013 0.000 2.043 353 I HA -0.275 3.895 4.170 0.000 0.000 0.223 353 I C 1.039 177.166 176.117 0.016 0.000 1.026 353 I CA 1.066 62.375 61.300 0.014 0.000 1.326 353 I CB -0.717 37.291 38.000 0.013 0.000 1.060 353 I HN 0.335 nan 8.210 nan 0.000 0.386 354 E N 2.730 122.939 120.200 0.014 0.000 2.175 354 E HA -0.021 4.329 4.350 0.000 0.000 0.247 354 E C -0.345 176.264 176.600 0.015 0.000 1.259 354 E CA 0.151 56.560 56.400 0.015 0.000 0.969 354 E CB -0.123 29.584 29.700 0.013 0.000 1.051 354 E HN 0.260 nan 8.360 nan 0.000 0.448 355 E N 2.262 122.472 120.200 0.018 0.000 2.288 355 E HA 0.439 4.789 4.350 0.000 0.000 0.268 355 E C -0.389 176.223 176.600 0.020 0.000 0.885 355 E CA -0.655 55.756 56.400 0.018 0.000 0.767 355 E CB 1.613 31.323 29.700 0.018 0.000 1.220 355 E HN 0.369 nan 8.360 nan 0.000 0.427 356 A N 2.727 125.558 122.820 0.018 0.000 2.276 356 A HA 0.087 4.407 4.320 0.000 0.000 0.212 356 A C 0.967 178.565 177.584 0.023 0.000 1.230 356 A CA 0.903 52.952 52.037 0.020 0.000 0.844 356 A CB -0.340 18.670 19.000 0.016 0.000 0.860 356 A HN 0.606 nan 8.150 nan 0.000 0.486 357 T N -1.936 112.633 114.554 0.026 0.000 3.042 357 T HA 0.064 4.414 4.350 0.000 0.000 0.245 357 T C 1.585 176.313 174.700 0.046 0.000 1.029 357 T CA 0.879 62.999 62.100 0.033 0.000 1.120 357 T CB 0.049 68.934 68.868 0.027 0.000 0.917 357 T HN 0.641 nan 8.240 nan 0.000 0.467 358 S N 1.247 116.973 115.700 0.043 0.000 4.150 358 S HA -0.313 4.157 4.470 0.000 0.000 0.537 358 S C 0.268 174.908 174.600 0.066 0.000 1.375 358 S CA 2.023 60.252 58.200 0.048 0.000 3.753 358 S CB -1.777 61.449 63.200 0.042 0.000 1.831 358 S HN 0.644 nan 8.310 nan 0.000 0.455 359 D N 0.653 121.095 120.400 0.070 0.000 2.382 359 D HA 0.209 4.849 4.640 0.000 0.000 0.259 359 D C 0.828 177.234 176.300 0.177 0.000 1.224 359 D CA 0.856 54.906 54.000 0.082 0.000 0.894 359 D CB 0.259 41.089 40.800 0.049 0.000 1.127 359 D HN 0.596 nan 8.370 nan 0.000 0.487 360 Y N 2.575 122.877 120.300 0.004 0.000 2.991 360 Y HA -0.379 4.171 4.550 0.000 0.000 0.461 360 Y C 1.161 177.061 175.900 0.001 0.000 1.346 360 Y CA 1.735 59.835 58.100 -0.000 0.000 2.307 360 Y CB -1.716 36.740 38.460 -0.006 0.000 0.924 360 Y HN 0.603 nan 8.280 nan 0.000 0.486 361 D N -0.046 120.445 120.400 0.152 0.000 2.087 361 D HA -0.076 4.564 4.640 0.000 0.000 0.210 361 D C 1.999 178.331 176.300 0.054 0.000 0.973 361 D CA 2.155 56.185 54.000 0.050 0.000 0.882 361 D CB -0.279 40.544 40.800 0.038 0.000 1.019 361 D HN 0.434 nan 8.370 nan 0.000 0.450 362 R N 0.324 120.856 120.500 0.053 0.000 2.332 362 R HA -0.140 4.200 4.340 0.000 0.000 0.239 362 R C 2.037 178.367 176.300 0.050 0.000 1.160 362 R CA 1.041 57.166 56.100 0.042 0.000 1.020 362 R CB -0.288 30.034 30.300 0.037 0.000 0.859 362 R HN 0.518 nan 8.270 nan 0.000 0.478 363 E N 1.204 121.452 120.200 0.080 0.000 1.997 363 E HA -0.158 4.192 4.350 0.000 0.000 0.196 363 E C 1.667 178.312 176.600 0.076 0.000 0.990 363 E CA 0.994 57.447 56.400 0.088 0.000 0.845 363 E CB -0.105 29.690 29.700 0.159 0.000 0.795 363 E HN 0.213 nan 8.360 nan 0.000 0.479 364 K N 0.956 121.415 120.400 0.098 0.000 2.362 364 K HA -0.142 4.178 4.320 0.000 0.000 0.202 364 K C 2.141 178.764 176.600 0.038 0.000 1.045 364 K CA 0.520 56.845 56.287 0.064 0.000 0.936 364 K CB -0.180 32.343 32.500 0.039 0.000 0.747 364 K HN 0.170 nan 8.250 nan 0.000 0.467 365 L N 0.806 122.050 121.223 0.034 0.000 1.925 365 L HA -0.273 4.067 4.340 0.000 0.000 0.215 365 L C 2.144 179.029 176.870 0.026 0.000 1.082 365 L CA 1.488 56.343 54.840 0.025 0.000 0.764 365 L CB -0.226 41.847 42.059 0.023 0.000 0.887 365 L HN 0.086 nan 8.230 nan 0.000 0.432 366 Q N 0.152 119.967 119.800 0.025 0.000 2.268 366 Q HA -0.303 4.037 4.340 0.000 0.000 0.210 366 Q C 1.787 177.800 176.000 0.022 0.000 0.988 366 Q CA 1.955 57.770 55.803 0.020 0.000 0.883 366 Q CB -0.370 28.378 28.738 0.016 0.000 0.911 366 Q HN 0.543 nan 8.270 nan 0.000 0.430 367 E N 0.148 120.365 120.200 0.029 0.000 2.026 367 E HA -0.307 4.043 4.350 0.000 0.000 0.206 367 E C 2.044 178.663 176.600 0.033 0.000 1.028 367 E CA 1.455 57.875 56.400 0.032 0.000 0.845 367 E CB -0.138 29.588 29.700 0.043 0.000 0.772 367 E HN 0.278 nan 8.360 nan 0.000 0.462 368 R N 0.185 120.707 120.500 0.036 0.000 2.083 368 R HA -0.166 4.174 4.340 0.000 0.000 0.237 368 R C 2.389 178.706 176.300 0.028 0.000 1.137 368 R CA 1.747 57.870 56.100 0.038 0.000 0.951 368 R CB -0.422 29.901 30.300 0.038 0.000 0.851 368 R HN 0.196 nan 8.270 nan 0.000 0.434 369 V N 1.184 121.112 119.914 0.023 0.000 2.370 369 V HA -0.316 3.804 4.120 0.000 0.000 0.252 369 V C 2.532 178.634 176.094 0.014 0.000 1.068 369 V CA 2.094 64.404 62.300 0.017 0.000 1.061 369 V CB -0.921 30.911 31.823 0.015 0.000 0.656 369 V HN 0.556 nan 8.190 nan 0.000 0.455 370 A N -0.426 122.403 122.820 0.015 0.000 1.872 370 A HA -0.146 4.174 4.320 0.000 0.000 0.214 370 A C 2.267 179.858 177.584 0.010 0.000 1.187 370 A CA 1.514 53.558 52.037 0.011 0.000 0.614 370 A CB -0.378 18.628 19.000 0.011 0.000 0.826 370 A HN 0.520 nan 8.150 nan 0.000 0.442 371 K N -0.260 120.150 120.400 0.016 0.000 2.362 371 K HA 0.084 4.404 4.320 0.000 0.000 0.200 371 K C 0.415 177.021 176.600 0.010 0.000 1.046 371 K CA 0.489 56.784 56.287 0.014 0.000 0.952 371 K CB -0.230 32.287 32.500 0.028 0.000 0.753 371 K HN 0.410 nan 8.250 nan 0.000 0.466 372 L N 0.188 121.419 121.223 0.013 0.000 2.862 372 L HA 0.139 4.479 4.340 0.000 0.000 0.240 372 L C 0.693 177.566 176.870 0.006 0.000 1.283 372 L CA -0.084 54.763 54.840 0.011 0.000 1.117 372 L CB -0.112 41.956 42.059 0.015 0.000 1.444 372 L HN 0.193 nan 8.230 nan 0.000 0.456 373 A N -1.427 121.394 122.820 0.002 0.000 3.355 373 A HA -0.023 4.297 4.320 0.000 0.000 0.195 373 A C 1.011 178.594 177.584 -0.002 0.000 0.929 373 A CA 0.110 52.146 52.037 -0.001 0.000 2.264 373 A CB -1.425 17.575 19.000 0.001 0.000 0.451 373 A HN 0.411 nan 8.150 nan 0.000 0.562 374 G N -0.321 108.479 108.800 0.000 0.000 2.546 374 G HA2 0.626 4.586 3.960 0.000 0.000 0.239 374 G HA3 0.626 4.586 3.960 0.000 0.000 0.239 374 G C 0.478 175.377 174.900 -0.002 0.000 1.476 374 G CA 0.251 45.350 45.100 -0.001 0.000 1.064 374 G HN 1.680 nan 8.290 nan 0.000 0.561 375 G N -2.511 106.288 108.800 -0.002 0.000 2.605 375 G HA2 0.535 4.495 3.960 0.000 0.000 0.296 375 G HA3 0.535 4.495 3.960 0.000 0.000 0.296 375 G C -1.768 173.132 174.900 0.000 0.000 1.304 375 G CA -0.355 44.743 45.100 -0.003 0.000 0.941 375 G HN 0.674 nan 8.290 nan 0.000 0.475 376 V N 0.189 120.103 119.914 0.000 0.000 2.495 376 V HA 0.804 4.924 4.120 0.000 0.000 0.298 376 V C 0.214 176.308 176.094 0.001 0.000 1.031 376 V CA -0.458 61.845 62.300 0.004 0.000 0.871 376 V CB 1.259 33.088 31.823 0.010 0.000 0.988 376 V HN 1.219 nan 8.190 nan 0.000 0.432 377 A N 4.307 127.127 122.820 0.001 0.000 2.413 377 A HA 0.980 5.300 4.320 0.000 0.000 0.307 377 A C -1.272 176.312 177.584 0.001 0.000 1.087 377 A CA -0.605 51.432 52.037 -0.000 0.000 0.750 377 A CB 2.141 21.140 19.000 -0.002 0.000 1.296 377 A HN 0.675 nan 8.150 nan 0.000 0.423 378 V N 1.656 121.571 119.914 0.002 0.000 2.925 378 V HA 0.513 4.633 4.120 0.000 0.000 0.311 378 V C -0.819 175.277 176.094 0.004 0.000 1.104 378 V CA -0.298 62.005 62.300 0.004 0.000 0.954 378 V CB 2.014 33.841 31.823 0.007 0.000 1.022 378 V HN 0.785 nan 8.190 nan 0.000 0.427 379 I N 3.084 123.657 120.570 0.005 0.000 2.465 379 I HA 0.475 4.645 4.170 0.000 0.000 0.291 379 I C -0.413 175.708 176.117 0.008 0.000 1.014 379 I CA -0.694 60.609 61.300 0.006 0.000 1.093 379 I CB 2.039 40.044 38.000 0.007 0.000 1.267 379 I HN 0.503 nan 8.210 nan 0.000 0.431 380 K N 5.760 126.164 120.400 0.006 0.000 2.293 380 K HA 0.483 4.803 4.320 0.000 0.000 0.267 380 K C -0.865 175.739 176.600 0.006 0.000 1.010 380 K CA -0.637 55.653 56.287 0.006 0.000 0.875 380 K CB 2.080 34.583 32.500 0.005 0.000 1.106 380 K HN 0.277 nan 8.250 nan 0.000 0.450 381 V N 2.301 122.220 119.914 0.008 0.000 2.614 381 V HA 0.227 4.347 4.120 0.000 0.000 0.291 381 V C 0.858 176.955 176.094 0.006 0.000 1.049 381 V CA -0.499 61.806 62.300 0.007 0.000 1.038 381 V CB 1.273 33.101 31.823 0.009 0.000 0.980 381 V HN 0.904 nan 8.190 nan 0.000 0.481 382 G N 2.680 111.482 108.800 0.004 0.000 2.367 382 G HA2 0.734 4.694 3.960 0.000 0.000 0.314 382 G HA3 0.734 4.694 3.960 0.000 0.000 0.314 382 G C -0.566 174.336 174.900 0.003 0.000 1.130 382 G CA 0.067 45.169 45.100 0.003 0.000 0.864 382 G HN 1.292 nan 8.290 nan 0.000 0.486 383 A N 0.366 123.187 122.820 0.003 0.000 2.582 383 A HA 0.741 5.061 4.320 0.000 0.000 0.297 383 A C 0.532 178.117 177.584 0.002 0.000 1.059 383 A CA 0.312 52.350 52.037 0.002 0.000 0.705 383 A CB 0.845 19.847 19.000 0.003 0.000 1.279 383 A HN 1.735 nan 8.150 nan 0.000 0.404 384 A N 0.774 123.594 122.820 0.001 0.000 1.874 384 A HA 0.371 4.691 4.320 0.000 0.000 0.214 384 A C 1.550 179.134 177.584 0.001 0.000 1.189 384 A CA 2.349 54.386 52.037 0.001 0.000 0.615 384 A CB -0.770 18.230 19.000 -0.000 0.000 0.830 384 A HN 1.912 nan 8.150 nan 0.000 0.443 385 T N -3.701 110.854 114.554 0.001 0.000 2.888 385 T HA 0.458 4.808 4.350 0.000 0.000 0.283 385 T C 0.718 175.420 174.700 0.003 0.000 1.013 385 T CA 0.242 62.342 62.100 0.001 0.000 0.938 385 T CB 1.457 70.325 68.868 -0.001 0.000 1.298 385 T HN 0.295 nan 8.240 nan 0.000 0.580 386 E N -0.673 119.529 120.200 0.003 0.000 2.244 386 E HA 0.012 4.362 4.350 0.000 0.000 0.196 386 E C 2.040 178.643 176.600 0.005 0.000 0.939 386 E CA 0.550 56.954 56.400 0.006 0.000 0.884 386 E CB 0.107 29.812 29.700 0.008 0.000 0.850 386 E HN 0.549 nan 8.360 nan 0.000 0.481 387 V N -0.614 119.301 119.914 0.002 0.000 3.241 387 V HA -0.095 4.025 4.120 0.000 0.000 0.269 387 V C 1.761 177.854 176.094 -0.001 0.000 1.151 387 V CA 1.903 64.203 62.300 -0.001 0.000 1.158 387 V CB -0.327 31.492 31.823 -0.006 0.000 0.764 387 V HN 0.248 nan 8.190 nan 0.000 0.508 388 E N -0.091 120.109 120.200 0.000 0.000 2.110 388 E HA -0.081 4.269 4.350 0.000 0.000 0.193 388 E C 2.066 178.667 176.600 0.002 0.000 0.950 388 E CA 0.816 57.216 56.400 -0.000 0.000 0.840 388 E CB -0.117 29.582 29.700 -0.000 0.000 0.809 388 E HN 0.443 nan 8.360 nan 0.000 0.465 389 M N 1.706 121.308 119.600 0.004 0.000 2.108 389 M HA -0.222 4.258 4.480 0.000 0.000 0.257 389 M C 1.637 177.941 176.300 0.007 0.000 1.071 389 M CA 1.678 56.982 55.300 0.005 0.000 1.093 389 M CB -0.114 32.490 32.600 0.007 0.000 1.345 389 M HN -0.055 nan 8.290 nan 0.000 0.403 390 K N -0.213 120.191 120.400 0.007 0.000 1.968 390 K HA -0.241 4.079 4.320 0.000 0.000 0.222 390 K C 1.884 178.487 176.600 0.005 0.000 1.043 390 K CA 2.014 58.306 56.287 0.008 0.000 0.991 390 K CB -0.985 31.520 32.500 0.009 0.000 0.744 390 K HN 0.398 nan 8.250 nan 0.000 0.445 391 E N 1.692 121.893 120.200 0.002 0.000 2.132 391 E HA -0.305 4.045 4.350 0.000 0.000 0.218 391 E C 1.885 178.485 176.600 0.001 0.000 1.058 391 E CA 2.387 58.786 56.400 -0.001 0.000 0.882 391 E CB -0.262 29.436 29.700 -0.003 0.000 0.774 391 E HN 0.184 nan 8.360 nan 0.000 0.467 392 K N 0.761 121.163 120.400 0.002 0.000 1.980 392 K HA -0.214 4.106 4.320 0.000 0.000 0.223 392 K C 2.182 178.787 176.600 0.008 0.000 1.052 392 K CA 2.472 58.761 56.287 0.004 0.000 0.974 392 K CB -0.639 31.863 32.500 0.004 0.000 0.734 392 K HN 0.167 nan 8.250 nan 0.000 0.447 393 K N -0.491 119.914 120.400 0.010 0.000 2.228 393 K HA -0.213 4.107 4.320 0.000 0.000 0.205 393 K C 1.754 178.365 176.600 0.018 0.000 1.045 393 K CA 1.389 57.685 56.287 0.015 0.000 0.931 393 K CB -0.266 32.243 32.500 0.014 0.000 0.727 393 K HN 0.325 nan 8.250 nan 0.000 0.458 394 A N 1.333 124.160 122.820 0.010 0.000 1.832 394 A HA -0.138 4.182 4.320 0.000 0.000 0.214 394 A C 2.031 179.617 177.584 0.004 0.000 1.200 394 A CA 1.412 53.452 52.037 0.005 0.000 0.610 394 A CB -0.505 18.494 19.000 -0.003 0.000 0.842 394 A HN 0.316 nan 8.150 nan 0.000 0.444 395 R N -0.424 120.077 120.500 0.002 0.000 2.117 395 R HA -0.132 4.208 4.340 0.000 0.000 0.243 395 R C 1.969 178.280 176.300 0.018 0.000 1.143 395 R CA 1.529 57.631 56.100 0.003 0.000 0.968 395 R CB -0.763 29.538 30.300 0.001 0.000 0.863 395 R HN 0.415 nan 8.270 nan 0.000 0.444 396 V N 1.370 121.298 119.914 0.023 0.000 2.380 396 V HA -0.260 3.860 4.120 0.000 0.000 0.251 396 V C 2.041 178.173 176.094 0.063 0.000 1.063 396 V CA 1.921 64.241 62.300 0.034 0.000 1.055 396 V CB -0.500 31.340 31.823 0.028 0.000 0.657 396 V HN 0.386 nan 8.190 nan 0.000 0.455 397 E N -0.072 120.177 120.200 0.080 0.000 2.046 397 E HA -0.183 4.167 4.350 0.000 0.000 0.190 397 E C 1.983 178.739 176.600 0.260 0.000 0.982 397 E CA 1.260 57.767 56.400 0.178 0.000 0.800 397 E CB -0.244 29.565 29.700 0.182 0.000 0.756 397 E HN 0.605 nan 8.360 nan 0.000 0.449 398 D N 1.240 121.670 120.400 0.050 0.000 2.127 398 D HA -0.240 4.400 4.640 0.000 0.000 0.190 398 D C 1.922 178.284 176.300 0.104 0.000 1.000 398 D CA 1.769 55.758 54.000 -0.020 0.000 0.839 398 D CB -0.599 40.177 40.800 -0.039 0.000 0.955 398 D HN 0.186 nan 8.370 nan 0.000 0.446 399 A N 1.332 124.198 122.820 0.076 0.000 1.884 399 A HA -0.212 4.108 4.320 0.000 0.000 0.219 399 A C 2.160 179.802 177.584 0.096 0.000 1.197 399 A CA 1.558 53.636 52.037 0.068 0.000 0.637 399 A CB -0.991 18.035 19.000 0.043 0.000 0.827 399 A HN 0.311 nan 8.150 nan 0.000 0.450 400 L N -0.685 120.608 121.223 0.118 0.000 2.051 400 L HA -0.270 4.070 4.340 0.000 0.000 0.214 400 L C 2.325 179.229 176.870 0.056 0.000 1.076 400 L CA 3.019 57.901 54.840 0.071 0.000 0.758 400 L CB -1.421 40.669 42.059 0.050 0.000 0.890 400 L HN 0.612 nan 8.230 nan 0.000 0.433 401 H N -0.298 118.776 119.070 0.007 0.000 2.284 401 H HA 0.029 4.585 4.556 0.000 0.000 0.304 401 H C 2.249 177.583 175.328 0.010 0.000 1.069 401 H CA 1.441 57.495 56.048 0.009 0.000 1.327 401 H CB -0.662 29.107 29.762 0.011 0.000 1.387 401 H HN 0.437 nan 8.280 nan 0.000 0.498 402 A N 0.612 123.530 122.820 0.162 0.000 1.894 402 A HA -0.333 3.987 4.320 0.000 0.000 0.220 402 A C 2.583 180.201 177.584 0.056 0.000 1.237 402 A CA 3.498 55.585 52.037 0.083 0.000 0.660 402 A CB -1.584 17.449 19.000 0.055 0.000 0.835 402 A HN 0.679 nan 8.150 nan 0.000 0.461 403 T N -2.282 112.300 114.554 0.046 0.000 2.635 403 T HA -0.264 4.086 4.350 0.000 0.000 0.267 403 T C 1.922 176.634 174.700 0.020 0.000 1.040 403 T CA 1.493 63.609 62.100 0.026 0.000 1.156 403 T CB -0.520 68.359 68.868 0.018 0.000 0.863 403 T HN 0.438 nan 8.240 nan 0.000 0.430 404 R N 1.773 122.283 120.500 0.016 0.000 2.133 404 R HA 0.018 4.358 4.340 0.000 0.000 0.247 404 R C 2.822 179.133 176.300 0.017 0.000 1.151 404 R CA 1.618 57.721 56.100 0.004 0.000 0.971 404 R CB -1.300 28.986 30.300 -0.023 0.000 0.866 404 R HN 0.672 nan 8.270 nan 0.000 0.447 405 A N 0.540 123.381 122.820 0.034 0.000 1.930 405 A HA 0.111 4.431 4.320 0.000 0.000 0.215 405 A C 2.350 179.947 177.584 0.022 0.000 1.176 405 A CA 1.203 53.261 52.037 0.033 0.000 0.632 405 A CB -0.354 18.674 19.000 0.046 0.000 0.819 405 A HN 0.314 nan 8.150 nan 0.000 0.445 406 A N -0.257 122.576 122.820 0.021 0.000 1.902 406 A HA -0.003 4.317 4.320 0.000 0.000 0.217 406 A C 2.193 179.783 177.584 0.011 0.000 1.181 406 A CA 1.828 53.874 52.037 0.015 0.000 0.623 406 A CB -0.886 18.123 19.000 0.015 0.000 0.818 406 A HN 0.372 nan 8.150 nan 0.000 0.443 407 V N 1.189 121.109 119.914 0.011 0.000 2.307 407 V HA -0.273 3.847 4.120 0.000 0.000 0.245 407 V C 2.501 178.599 176.094 0.007 0.000 1.045 407 V CA 2.264 64.568 62.300 0.007 0.000 1.024 407 V CB -1.019 30.807 31.823 0.005 0.000 0.651 407 V HN 0.909 nan 8.190 nan 0.000 0.449 408 E N 0.472 120.678 120.200 0.009 0.000 2.371 408 E HA -0.154 4.196 4.350 0.000 0.000 0.194 408 E C 1.693 178.297 176.600 0.008 0.000 1.012 408 E CA 1.213 57.618 56.400 0.009 0.000 0.860 408 E CB 0.028 29.735 29.700 0.011 0.000 0.811 408 E HN 0.696 nan 8.360 nan 0.000 0.502 409 E N 0.292 120.496 120.200 0.008 0.000 2.810 409 E HA 0.208 4.558 4.350 0.000 0.000 0.214 409 E C 0.214 176.816 176.600 0.004 0.000 0.980 409 E CA 0.251 56.654 56.400 0.005 0.000 1.159 409 E CB 0.676 30.378 29.700 0.004 0.000 1.047 409 E HN 0.349 nan 8.360 nan 0.000 0.484 410 G N 0.235 109.038 108.800 0.006 0.000 2.752 410 G HA2 -0.253 3.707 3.960 0.000 0.000 0.234 410 G HA3 -0.253 3.707 3.960 0.000 0.000 0.234 410 G C -0.120 174.783 174.900 0.006 0.000 1.367 410 G CA -0.213 44.890 45.100 0.006 0.000 0.879 410 G HN 0.751 nan 8.290 nan 0.000 0.563 411 V N -3.479 116.438 119.914 0.006 0.000 3.182 411 V HA 1.001 5.121 4.120 0.000 0.000 0.308 411 V C 0.551 176.648 176.094 0.006 0.000 1.240 411 V CA 0.239 62.543 62.300 0.006 0.000 1.063 411 V CB 1.175 33.002 31.823 0.007 0.000 1.076 411 V HN 2.582 nan 8.190 nan 0.000 0.446 412 V N -2.981 116.937 119.914 0.007 0.000 3.202 412 V HA 1.006 5.126 4.120 0.000 0.000 0.306 412 V C 0.189 176.288 176.094 0.009 0.000 1.283 412 V CA -0.712 61.593 62.300 0.008 0.000 1.065 412 V CB 1.229 33.056 31.823 0.007 0.000 1.079 412 V HN 2.315 nan 8.190 nan 0.000 0.448 413 A N 0.916 123.743 122.820 0.013 0.000 2.491 413 A HA 0.679 4.999 4.320 0.000 0.000 0.261 413 A C 0.931 178.520 177.584 0.008 0.000 1.101 413 A CA 0.608 52.652 52.037 0.012 0.000 0.772 413 A CB -0.484 18.529 19.000 0.021 0.000 1.043 413 A HN 2.061 nan 8.150 nan 0.000 0.501 414 G N 1.250 110.052 108.800 0.002 0.000 2.468 414 G HA2 0.468 4.428 3.960 0.000 0.000 0.264 414 G HA3 0.468 4.428 3.960 0.000 0.000 0.264 414 G C 1.255 176.154 174.900 -0.001 0.000 1.460 414 G CA 0.044 45.144 45.100 -0.001 0.000 1.060 414 G HN 2.232 nan 8.290 nan 0.000 0.543 415 G N -2.033 106.764 108.800 -0.004 0.000 2.180 415 G HA2 0.186 4.146 3.960 0.000 0.000 0.263 415 G HA3 0.186 4.146 3.960 0.000 0.000 0.263 415 G C 1.510 176.417 174.900 0.011 0.000 0.989 415 G CA 1.249 46.351 45.100 0.003 0.000 0.692 415 G HN 2.473 nan 8.290 nan 0.000 0.526 416 G N -2.307 106.499 108.800 0.009 0.000 2.225 416 G HA2 -0.087 3.873 3.960 0.000 0.000 0.267 416 G HA3 -0.087 3.873 3.960 0.000 0.000 0.267 416 G C 1.324 176.234 174.900 0.016 0.000 1.024 416 G CA 1.427 46.534 45.100 0.012 0.000 0.784 416 G HN 1.782 nan 8.290 nan 0.000 0.507 417 V N -0.276 119.648 119.914 0.018 0.000 2.379 417 V HA 0.273 4.393 4.120 0.000 0.000 0.243 417 V C 2.966 179.076 176.094 0.027 0.000 1.035 417 V CA 2.341 64.656 62.300 0.026 0.000 1.035 417 V CB -0.445 31.394 31.823 0.026 0.000 0.673 417 V HN 1.210 nan 8.190 nan 0.000 0.457 418 A N 0.333 123.165 122.820 0.021 0.000 1.863 418 A HA -0.286 4.034 4.320 0.000 0.000 0.218 418 A C 2.121 179.715 177.584 0.017 0.000 1.233 418 A CA 2.690 54.738 52.037 0.018 0.000 0.655 418 A CB -1.128 17.879 19.000 0.012 0.000 0.839 418 A HN 0.506 nan 8.150 nan 0.000 0.454 419 L N -0.730 120.501 121.223 0.013 0.000 1.971 419 L HA -0.206 4.134 4.340 0.000 0.000 0.215 419 L C 2.489 179.368 176.870 0.015 0.000 1.072 419 L CA 2.197 57.044 54.840 0.011 0.000 0.758 419 L CB -0.613 41.451 42.059 0.008 0.000 0.889 419 L HN 0.563 nan 8.230 nan 0.000 0.433 420 I N -1.422 119.159 120.570 0.019 0.000 2.399 420 I HA -0.381 3.789 4.170 0.000 0.000 0.254 420 I C 2.633 178.767 176.117 0.028 0.000 1.146 420 I CA 1.118 62.432 61.300 0.024 0.000 1.412 420 I CB -0.045 37.973 38.000 0.029 0.000 1.076 420 I HN 0.235 nan 8.210 nan 0.000 0.432 421 R N 0.376 120.895 120.500 0.030 0.000 2.055 421 R HA -0.096 4.244 4.340 0.000 0.000 0.226 421 R C 2.256 178.571 176.300 0.024 0.000 1.135 421 R CA 1.962 58.082 56.100 0.034 0.000 0.959 421 R CB -1.006 29.317 30.300 0.038 0.000 0.854 421 R HN 0.442 nan 8.270 nan 0.000 0.431 422 V N -0.370 119.555 119.914 0.018 0.000 2.720 422 V HA -0.058 4.062 4.120 0.000 0.000 0.256 422 V C 1.860 177.961 176.094 0.011 0.000 1.082 422 V CA 1.851 64.159 62.300 0.013 0.000 1.101 422 V CB -0.758 31.070 31.823 0.008 0.000 0.693 422 V HN 0.296 nan 8.190 nan 0.000 0.479 423 A N 1.677 124.505 122.820 0.013 0.000 1.873 423 A HA -0.141 4.179 4.320 0.000 0.000 0.215 423 A C 2.638 180.230 177.584 0.012 0.000 1.186 423 A CA 2.476 54.520 52.037 0.012 0.000 0.616 423 A CB -1.148 17.860 19.000 0.013 0.000 0.823 423 A HN 1.020 nan 8.150 nan 0.000 0.442 424 S N 0.154 115.864 115.700 0.016 0.000 2.382 424 S HA -0.188 4.282 4.470 0.000 0.000 0.228 424 S C 1.766 176.373 174.600 0.013 0.000 1.027 424 S CA 1.508 59.717 58.200 0.016 0.000 0.991 424 S CB -0.436 62.776 63.200 0.020 0.000 0.823 424 S HN 0.593 nan 8.310 nan 0.000 0.469 425 K N 0.867 121.275 120.400 0.013 0.000 2.280 425 K HA 0.115 4.435 4.320 0.000 0.000 0.202 425 K C 1.110 177.714 176.600 0.008 0.000 1.047 425 K CA 0.944 57.237 56.287 0.010 0.000 0.942 425 K CB -0.334 32.172 32.500 0.010 0.000 0.739 425 K HN 0.459 nan 8.250 nan 0.000 0.457 426 L N -0.172 121.055 121.223 0.007 0.000 2.872 426 L HA 0.227 4.567 4.340 0.000 0.000 0.245 426 L C 1.637 178.510 176.870 0.006 0.000 1.211 426 L CA -0.351 54.492 54.840 0.006 0.000 1.013 426 L CB 0.240 42.301 42.059 0.005 0.000 1.326 426 L HN 0.011 nan 8.230 nan 0.000 0.525 427 A N -0.143 122.681 122.820 0.006 0.000 2.131 427 A HA -0.170 4.150 4.320 0.000 0.000 0.220 427 A C 1.459 179.046 177.584 0.005 0.000 1.158 427 A CA 1.508 53.548 52.037 0.006 0.000 0.665 427 A CB -0.188 18.816 19.000 0.007 0.000 0.795 427 A HN 0.390 nan 8.150 nan 0.000 0.460 428 D N -1.197 119.206 120.400 0.004 0.000 2.431 428 D HA 0.170 4.810 4.640 0.000 0.000 0.213 428 D C -0.097 176.205 176.300 0.003 0.000 1.130 428 D CA -0.317 53.685 54.000 0.004 0.000 0.834 428 D CB 0.198 41.000 40.800 0.003 0.000 0.985 428 D HN 0.314 nan 8.370 nan 0.000 0.504 429 L N 2.028 123.253 121.223 0.004 0.000 2.455 429 L HA 0.162 4.502 4.340 0.000 0.000 0.272 429 L C 0.066 176.938 176.870 0.003 0.000 1.174 429 L CA 0.472 55.315 54.840 0.003 0.000 0.869 429 L CB 0.133 42.194 42.059 0.004 0.000 1.130 429 L HN -0.207 nan 8.230 nan 0.000 0.474 430 R N 3.116 123.618 120.500 0.003 0.000 2.836 430 R HA 0.773 5.113 4.340 0.000 0.000 0.269 430 R C -0.418 175.884 176.300 0.004 0.000 1.010 430 R CA -0.502 55.600 56.100 0.003 0.000 0.930 430 R CB 1.605 31.907 30.300 0.003 0.000 1.218 430 R HN 0.816 nan 8.270 nan 0.000 0.473 431 G N -0.475 108.327 108.800 0.004 0.000 2.788 431 G HA2 0.264 4.224 3.960 0.000 0.000 0.293 431 G HA3 0.264 4.224 3.960 0.000 0.000 0.293 431 G C 0.137 175.040 174.900 0.004 0.000 1.305 431 G CA -0.434 44.668 45.100 0.004 0.000 1.005 431 G HN 0.425 nan 8.290 nan 0.000 0.496 432 Q N -0.491 119.312 119.800 0.004 0.000 2.268 432 Q HA -0.116 4.224 4.340 0.000 0.000 0.210 432 Q C 0.859 176.861 176.000 0.004 0.000 0.988 432 Q CA 1.611 57.417 55.803 0.004 0.000 0.883 432 Q CB -0.106 28.634 28.738 0.004 0.000 0.911 432 Q HN 0.628 nan 8.270 nan 0.000 0.430 433 N N -1.757 116.946 118.700 0.004 0.000 3.204 433 N HA 0.017 4.757 4.740 0.000 0.000 0.285 433 N C 0.239 175.751 175.510 0.004 0.000 1.536 433 N CA -0.346 52.707 53.050 0.004 0.000 0.832 433 N CB 1.018 39.508 38.487 0.004 0.000 1.645 433 N HN -0.220 nan 8.380 nan 0.000 0.586 434 E N 0.517 120.719 120.200 0.004 0.000 2.015 434 E HA -0.115 4.235 4.350 0.000 0.000 0.191 434 E C 0.513 177.116 176.600 0.004 0.000 0.991 434 E CA 1.849 58.251 56.400 0.004 0.000 0.802 434 E CB -0.677 29.024 29.700 0.003 0.000 0.759 434 E HN 0.600 nan 8.360 nan 0.000 0.447 435 D N 0.480 120.882 120.400 0.004 0.000 2.204 435 D HA -0.258 4.382 4.640 0.000 0.000 0.189 435 D C 2.034 178.337 176.300 0.005 0.000 1.006 435 D CA 1.978 55.980 54.000 0.005 0.000 0.855 435 D CB -0.430 40.373 40.800 0.006 0.000 0.946 435 D HN 0.318 nan 8.370 nan 0.000 0.448 436 Q N -0.346 119.457 119.800 0.006 0.000 2.173 436 Q HA -0.190 4.150 4.340 0.000 0.000 0.208 436 Q C 1.831 177.835 176.000 0.005 0.000 0.989 436 Q CA 1.241 57.047 55.803 0.006 0.000 0.872 436 Q CB -0.093 28.648 28.738 0.006 0.000 0.909 436 Q HN 0.362 nan 8.270 nan 0.000 0.420 437 N N -0.376 118.326 118.700 0.005 0.000 2.188 437 N HA -0.119 4.621 4.740 0.000 0.000 0.184 437 N C 1.842 177.354 175.510 0.005 0.000 1.018 437 N CA 1.093 54.145 53.050 0.004 0.000 0.858 437 N CB -0.219 38.270 38.487 0.004 0.000 0.989 437 N HN 0.084 nan 8.380 nan 0.000 0.426 438 V N 1.168 121.085 119.914 0.005 0.000 2.295 438 V HA -0.142 3.978 4.120 0.000 0.000 0.246 438 V C 2.553 178.650 176.094 0.006 0.000 1.049 438 V CA 1.994 64.297 62.300 0.005 0.000 1.024 438 V CB -1.336 30.490 31.823 0.005 0.000 0.648 438 V HN 0.317 nan 8.190 nan 0.000 0.447 439 G N -0.096 108.708 108.800 0.006 0.000 2.507 439 G HA2 -0.261 3.699 3.960 0.000 0.000 0.221 439 G HA3 -0.261 3.699 3.960 0.000 0.000 0.221 439 G C 1.531 176.435 174.900 0.007 0.000 1.119 439 G CA 1.309 46.413 45.100 0.007 0.000 0.751 439 G HN 0.510 nan 8.290 nan 0.000 0.574 440 I N -0.427 120.146 120.570 0.006 0.000 2.235 440 I HA -0.028 4.142 4.170 0.000 0.000 0.241 440 I C 2.735 178.855 176.117 0.006 0.000 1.085 440 I CA 0.932 62.235 61.300 0.005 0.000 1.378 440 I CB -0.170 37.833 38.000 0.005 0.000 1.076 440 I HN -0.016 nan 8.210 nan 0.000 0.415 441 K N 0.958 121.361 120.400 0.005 0.000 2.074 441 K HA -0.148 4.172 4.320 0.000 0.000 0.209 441 K C 1.924 178.527 176.600 0.006 0.000 1.048 441 K CA 1.210 57.500 56.287 0.005 0.000 0.926 441 K CB -0.785 31.718 32.500 0.005 0.000 0.713 441 K HN 0.097 nan 8.250 nan 0.000 0.444 442 V N 0.722 120.640 119.914 0.006 0.000 2.220 442 V HA -0.365 3.755 4.120 0.000 0.000 0.250 442 V C 2.225 178.323 176.094 0.007 0.000 1.056 442 V CA 2.313 64.617 62.300 0.006 0.000 1.016 442 V CB -1.062 30.765 31.823 0.007 0.000 0.639 442 V HN 0.454 nan 8.190 nan 0.000 0.446 443 A N -0.154 122.670 122.820 0.007 0.000 1.869 443 A HA -0.252 4.068 4.320 0.000 0.000 0.218 443 A C 2.197 179.785 177.584 0.007 0.000 1.203 443 A CA 2.498 54.539 52.037 0.007 0.000 0.638 443 A CB -0.827 18.177 19.000 0.007 0.000 0.831 443 A HN 0.534 nan 8.150 nan 0.000 0.450 444 L N -1.334 119.893 121.223 0.006 0.000 2.021 444 L HA -0.279 4.061 4.340 0.000 0.000 0.215 444 L C 2.831 179.706 176.870 0.007 0.000 1.074 444 L CA 2.109 56.953 54.840 0.007 0.000 0.760 444 L CB -0.640 41.423 42.059 0.007 0.000 0.889 444 L HN 0.454 nan 8.230 nan 0.000 0.433 445 R N 0.175 120.679 120.500 0.007 0.000 2.096 445 R HA -0.206 4.134 4.340 0.000 0.000 0.240 445 R C 2.326 178.630 176.300 0.007 0.000 1.139 445 R CA 1.633 57.737 56.100 0.007 0.000 0.952 445 R CB -0.306 29.997 30.300 0.006 0.000 0.854 445 R HN 0.403 nan 8.270 nan 0.000 0.436 446 A N 0.514 123.338 122.820 0.007 0.000 2.070 446 A HA -0.128 4.192 4.320 0.000 0.000 0.220 446 A C 1.983 179.571 177.584 0.008 0.000 1.159 446 A CA 1.246 53.288 52.037 0.007 0.000 0.656 446 A CB -0.376 18.629 19.000 0.009 0.000 0.800 446 A HN 0.351 nan 8.150 nan 0.000 0.453 447 M N -0.521 119.084 119.600 0.008 0.000 2.700 447 M HA -0.088 4.392 4.480 0.000 0.000 0.249 447 M C 1.091 177.396 176.300 0.009 0.000 1.082 447 M CA 0.928 56.233 55.300 0.008 0.000 1.077 447 M CB -0.328 32.276 32.600 0.008 0.000 1.477 447 M HN 0.445 nan 8.290 nan 0.000 0.529 448 E N 0.424 120.630 120.200 0.008 0.000 2.474 448 E HA 0.091 4.441 4.350 0.000 0.000 0.194 448 E C 2.050 178.653 176.600 0.006 0.000 1.041 448 E CA 0.255 56.660 56.400 0.008 0.000 0.874 448 E CB 0.143 29.848 29.700 0.007 0.000 0.914 448 E HN 0.486 nan 8.360 nan 0.000 0.498 449 A N 2.505 125.328 122.820 0.006 0.000 1.849 449 A HA -0.164 4.156 4.320 0.000 0.000 0.217 449 A C -0.345 177.242 177.584 0.004 0.000 1.202 449 A CA 1.479 53.519 52.037 0.005 0.000 0.629 449 A CB -1.626 17.378 19.000 0.006 0.000 0.834 449 A HN 0.104 nan 8.150 nan 0.000 0.447 450 P HA -0.223 nan 4.420 nan 0.000 0.216 450 P C 1.856 179.160 177.300 0.006 0.000 1.167 450 P CA 1.388 64.492 63.100 0.007 0.000 0.914 450 P CB -0.169 31.536 31.700 0.008 0.000 0.793 451 L N -0.172 121.056 121.223 0.008 0.000 1.971 451 L HA -0.234 4.106 4.340 0.000 0.000 0.215 451 L C 2.430 179.300 176.870 -0.000 0.000 1.072 451 L CA 2.044 56.889 54.840 0.009 0.000 0.758 451 L CB -0.496 41.570 42.059 0.011 0.000 0.889 451 L HN -0.043 nan 8.230 nan 0.000 0.433 452 R N -1.122 119.374 120.500 -0.006 0.000 2.339 452 R HA -0.103 4.237 4.340 0.000 0.000 0.199 452 R C 1.812 178.105 176.300 -0.012 0.000 1.018 452 R CA 0.411 56.502 56.100 -0.016 0.000 1.036 452 R CB -0.214 30.076 30.300 -0.017 0.000 0.899 452 R HN 0.418 nan 8.270 nan 0.000 0.473 453 Q N 1.214 121.011 119.800 -0.005 0.000 2.259 453 Q HA 0.148 4.488 4.340 0.000 0.000 0.201 453 Q C 1.992 177.991 176.000 -0.001 0.000 0.938 453 Q CA 0.823 56.624 55.803 -0.003 0.000 0.872 453 Q CB 0.108 28.846 28.738 0.000 0.000 0.971 453 Q HN 0.427 nan 8.270 nan 0.000 0.494 454 I N 0.000 120.572 120.570 0.003 0.000 2.163 454 I HA -0.290 3.880 4.170 0.000 0.000 0.243 454 I C 2.219 178.345 176.117 0.014 0.000 1.085 454 I CA 1.064 62.371 61.300 0.011 0.000 1.347 454 I CB -0.376 37.636 38.000 0.019 0.000 1.044 454 I HN -0.029 nan 8.210 nan 0.000 0.408 455 V N 0.562 120.477 119.914 0.001 0.000 2.295 455 V HA -0.278 3.842 4.120 0.000 0.000 0.246 455 V C 2.384 178.466 176.094 -0.019 0.000 1.049 455 V CA 1.523 63.810 62.300 -0.022 0.000 1.024 455 V CB -0.561 31.209 31.823 -0.088 0.000 0.648 455 V HN 0.336 nan 8.190 nan 0.000 0.447 456 L N 0.620 121.832 121.223 -0.018 0.000 2.191 456 L HA -0.100 4.240 4.340 0.000 0.000 0.212 456 L C 1.851 178.718 176.870 -0.005 0.000 1.103 456 L CA 1.760 56.592 54.840 -0.014 0.000 0.769 456 L CB -1.188 40.863 42.059 -0.012 0.000 0.908 456 L HN 0.424 nan 8.230 nan 0.000 0.438 457 N N -2.331 116.369 118.700 -0.000 0.000 2.515 457 N HA -0.066 4.674 4.740 0.000 0.000 0.191 457 N C 0.767 176.281 175.510 0.007 0.000 1.182 457 N CA 0.428 53.480 53.050 0.002 0.000 0.879 457 N CB -0.002 38.487 38.487 0.003 0.000 0.984 457 N HN 0.354 nan 8.380 nan 0.000 0.453 458 C N -0.360 118.946 119.300 0.010 0.000 3.125 458 C HA 0.340 4.800 4.460 0.000 0.000 0.284 458 C C 1.494 176.491 174.990 0.011 0.000 1.386 458 C CA -0.590 58.440 59.018 0.019 0.000 1.763 458 C CB -0.564 27.203 27.740 0.046 0.000 2.377 458 C HN 0.519 nan 8.230 nan 0.000 0.620 459 G N 2.101 110.902 108.800 0.002 0.000 2.273 459 G HA2 -0.214 3.746 3.960 0.000 0.000 0.280 459 G HA3 -0.214 3.746 3.960 0.000 0.000 0.280 459 G C -0.366 174.531 174.900 -0.005 0.000 1.047 459 G CA 0.417 45.517 45.100 -0.001 0.000 0.869 459 G HN 0.689 nan 8.290 nan 0.000 0.502 460 E N -0.243 119.947 120.200 -0.017 0.000 2.336 460 E HA 0.348 4.698 4.350 0.000 0.000 0.267 460 E C -0.367 176.201 176.600 -0.052 0.000 0.906 460 E CA -1.094 55.285 56.400 -0.035 0.000 0.781 460 E CB 1.062 30.729 29.700 -0.054 0.000 1.261 460 E HN 0.236 nan 8.360 nan 0.000 0.436 461 E N 2.193 122.360 120.200 -0.055 0.000 2.463 461 E HA -0.020 4.330 4.350 0.000 0.000 0.248 461 E C -1.974 174.583 176.600 -0.071 0.000 1.106 461 E CA -1.049 55.321 56.400 -0.050 0.000 0.946 461 E CB 0.078 29.755 29.700 -0.040 0.000 0.971 461 E HN 0.275 nan 8.360 nan 0.000 0.478 462 P HA -0.180 nan 4.420 nan 0.000 0.215 462 P C 1.502 178.773 177.300 -0.048 0.000 1.157 462 P CA 1.462 64.529 63.100 -0.055 0.000 0.863 462 P CB 0.207 31.887 31.700 -0.033 0.000 0.787 463 S N -1.227 114.453 115.700 -0.033 0.000 2.383 463 S HA -0.095 4.375 4.470 0.000 0.000 0.227 463 S C 2.044 176.631 174.600 -0.022 0.000 1.026 463 S CA 1.130 59.318 58.200 -0.022 0.000 0.981 463 S CB -1.673 61.518 63.200 -0.014 0.000 0.818 463 S HN -0.065 nan 8.310 nan 0.000 0.472 464 V N 1.709 121.605 119.914 -0.030 0.000 2.307 464 V HA -0.114 4.006 4.120 0.000 0.000 0.245 464 V C 2.618 178.700 176.094 -0.019 0.000 1.045 464 V CA 1.453 63.739 62.300 -0.022 0.000 1.024 464 V CB -0.705 31.106 31.823 -0.021 0.000 0.651 464 V HN 0.411 nan 8.190 nan 0.000 0.449 465 V N 0.328 120.205 119.914 -0.061 0.000 2.214 465 V HA -0.316 3.804 4.120 0.000 0.000 0.245 465 V C 2.763 178.869 176.094 0.020 0.000 1.047 465 V CA 2.260 64.527 62.300 -0.056 0.000 0.998 465 V CB -1.387 30.246 31.823 -0.316 0.000 0.633 465 V HN 0.562 nan 8.190 nan 0.000 0.446 466 A N 0.457 123.268 122.820 -0.015 0.000 1.944 466 A HA -0.394 3.926 4.320 0.000 0.000 0.222 466 A C 2.029 179.632 177.584 0.031 0.000 1.237 466 A CA 2.713 54.758 52.037 0.012 0.000 0.668 466 A CB -1.026 17.974 19.000 -0.001 0.000 0.830 466 A HN 0.669 nan 8.150 nan 0.000 0.471 467 N N -0.540 118.170 118.700 0.017 0.000 2.013 467 N HA -0.172 4.568 4.740 0.000 0.000 0.195 467 N C 2.101 177.627 175.510 0.027 0.000 1.051 467 N CA 2.761 55.821 53.050 0.017 0.000 0.851 467 N CB -1.222 37.266 38.487 0.002 0.000 1.044 467 N HN 0.765 nan 8.380 nan 0.000 0.422 468 T N -0.513 114.044 114.554 0.005 0.000 2.737 468 T HA -0.093 4.257 4.350 0.000 0.000 0.269 468 T C 2.126 176.885 174.700 0.098 0.000 1.040 468 T CA 1.484 63.564 62.100 -0.032 0.000 1.142 468 T CB -0.790 67.918 68.868 -0.266 0.000 0.861 468 T HN -0.026 nan 8.240 nan 0.000 0.456 469 V N 1.764 121.749 119.914 0.119 0.000 2.358 469 V HA -0.093 4.027 4.120 0.000 0.000 0.246 469 V C 2.803 178.998 176.094 0.169 0.000 1.047 469 V CA 1.808 64.197 62.300 0.149 0.000 1.035 469 V CB -0.549 31.341 31.823 0.112 0.000 0.658 469 V HN 0.538 nan 8.190 nan 0.000 0.452 470 K N 0.321 120.784 120.400 0.105 0.000 2.283 470 K HA -0.049 4.271 4.320 0.000 0.000 0.202 470 K C 2.178 178.828 176.600 0.084 0.000 1.048 470 K CA 1.169 57.506 56.287 0.083 0.000 0.948 470 K CB -0.436 32.093 32.500 0.048 0.000 0.742 470 K HN 0.561 nan 8.250 nan 0.000 0.458 471 G N 1.448 110.300 108.800 0.087 0.000 2.422 471 G HA2 -0.106 3.854 3.960 0.000 0.000 0.218 471 G HA3 -0.106 3.854 3.960 0.000 0.000 0.218 471 G C 0.854 175.778 174.900 0.040 0.000 1.140 471 G CA 0.615 45.742 45.100 0.046 0.000 0.775 471 G HN 0.358 nan 8.290 nan 0.000 0.545 472 G N -0.488 108.403 108.800 0.152 0.000 2.570 472 G HA2 0.450 4.410 3.960 0.000 0.000 0.276 472 G HA3 0.450 4.410 3.960 0.000 0.000 0.276 472 G C -0.864 174.089 174.900 0.089 0.000 1.346 472 G CA -0.195 44.952 45.100 0.079 0.000 1.034 472 G HN 0.281 nan 8.290 nan 0.000 0.512 473 D N -2.830 117.612 120.400 0.072 0.000 2.714 473 D HA 0.538 5.178 4.640 0.000 0.000 0.278 473 D C 1.074 177.436 176.300 0.103 0.000 1.102 473 D CA 0.402 54.440 54.000 0.064 0.000 1.108 473 D CB 0.779 41.587 40.800 0.013 0.000 1.444 473 D HN 0.760 nan 8.370 nan 0.000 0.568 474 G N 0.485 109.328 108.800 0.070 0.000 2.685 474 G HA2 -0.415 3.545 3.960 0.000 0.000 0.357 474 G HA3 -0.415 3.545 3.960 0.000 0.000 0.357 474 G C 0.276 175.233 174.900 0.096 0.000 1.272 474 G CA 0.839 45.982 45.100 0.070 0.000 0.972 474 G HN 0.668 nan 8.290 nan 0.000 0.550 475 N N -0.011 118.750 118.700 0.103 0.000 2.327 475 N HA 0.218 4.958 4.740 0.000 0.000 0.231 475 N C -0.095 175.509 175.510 0.156 0.000 1.130 475 N CA -0.281 52.830 53.050 0.102 0.000 0.845 475 N CB 0.339 38.867 38.487 0.069 0.000 1.073 475 N HN 0.445 nan 8.380 nan 0.000 0.496 476 Y N 1.886 122.218 120.300 0.053 0.000 2.526 476 Y HA 0.329 4.879 4.550 0.000 0.000 0.330 476 Y C 0.474 176.442 175.900 0.114 0.000 1.156 476 Y CA -0.026 58.122 58.100 0.080 0.000 1.419 476 Y CB 0.402 38.904 38.460 0.069 0.000 1.250 476 Y HN 0.033 nan 8.280 nan 0.000 0.540 477 G N 4.550 113.175 108.800 -0.292 0.000 2.673 477 G HA2 0.290 4.250 3.960 0.000 0.000 0.292 477 G HA3 0.290 4.250 3.960 0.000 0.000 0.292 477 G C -2.460 172.315 174.900 -0.208 0.000 1.450 477 G CA -0.998 43.978 45.100 -0.206 0.000 0.837 477 G HN 0.628 nan 8.290 nan 0.000 0.505 478 Y N 1.658 121.788 120.300 -0.283 0.000 2.319 478 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 478 Y C 0.231 175.937 175.900 -0.324 0.000 1.133 478 Y CA -0.802 56.993 58.100 -0.510 0.000 1.265 478 Y CB 1.321 39.448 38.460 -0.555 0.000 1.218 478 Y HN 0.435 nan 8.280 nan 0.000 0.508 479 N N 4.732 122.865 118.700 -0.944 0.000 2.527 479 N HA 0.223 4.963 4.740 0.000 0.000 0.236 479 N C 0.310 175.302 175.510 -0.862 0.000 0.999 479 N CA 0.455 53.126 53.050 -0.632 0.000 0.935 479 N CB 1.331 39.560 38.487 -0.430 0.000 1.132 479 N HN 0.927 nan 8.380 nan 0.000 0.511 480 A N 3.783 126.339 122.820 -0.440 0.000 1.940 480 A HA -0.128 4.192 4.320 0.000 0.000 0.219 480 A C 2.058 179.542 177.584 -0.167 0.000 1.176 480 A CA 1.997 53.937 52.037 -0.162 0.000 0.631 480 A CB -0.575 18.442 19.000 0.029 0.000 0.814 480 A HN 0.703 nan 8.150 nan 0.000 0.446 481 A N -0.566 122.152 122.820 -0.171 0.000 1.873 481 A HA -0.072 4.248 4.320 0.000 0.000 0.215 481 A C 2.379 179.879 177.584 -0.139 0.000 1.186 481 A CA 2.431 54.395 52.037 -0.120 0.000 0.616 481 A CB -1.119 17.823 19.000 -0.097 0.000 0.823 481 A HN 0.828 nan 8.150 nan 0.000 0.442 482 T N -3.670 110.760 114.554 -0.206 0.000 3.065 482 T HA 0.201 4.551 4.350 0.000 0.000 0.252 482 T C 0.334 174.902 174.700 -0.221 0.000 1.099 482 T CA 0.755 62.748 62.100 -0.179 0.000 1.063 482 T CB -0.310 68.455 68.868 -0.172 0.000 0.948 482 T HN 0.582 nan 8.240 nan 0.000 0.506 483 E N 1.542 121.519 120.200 -0.372 0.000 2.513 483 E HA -0.170 4.180 4.350 0.000 0.000 0.257 483 E C -0.455 175.918 176.600 -0.378 0.000 1.098 483 E CA 0.829 57.013 56.400 -0.359 0.000 0.752 483 E CB -1.690 27.987 29.700 -0.039 0.000 1.324 483 E HN 0.973 nan 8.360 nan 0.000 0.403 484 E N -0.887 118.930 120.200 -0.638 0.000 2.352 484 E HA 0.430 4.780 4.350 0.000 0.000 0.280 484 E C -0.738 175.607 176.600 -0.425 0.000 0.930 484 E CA -0.950 55.252 56.400 -0.330 0.000 0.765 484 E CB 0.831 30.477 29.700 -0.090 0.000 1.219 484 E HN 0.028 nan 8.360 nan 0.000 0.434 485 Y N 1.199 121.467 120.300 -0.052 0.000 2.296 485 Y HA 0.594 5.144 4.550 0.000 0.000 0.343 485 Y C 1.394 177.279 175.900 -0.024 0.000 1.292 485 Y CA 1.384 59.426 58.100 -0.096 0.000 1.490 485 Y CB 0.969 39.388 38.460 -0.069 0.000 1.359 485 Y HN 0.931 nan 8.280 nan 0.000 0.599 486 G N 0.021 108.897 108.800 0.126 0.000 2.350 486 G HA2 -0.061 3.899 3.960 0.000 0.000 0.276 486 G HA3 -0.061 3.899 3.960 0.000 0.000 0.276 486 G C -1.746 173.252 174.900 0.164 0.000 1.313 486 G CA -1.124 44.107 45.100 0.219 0.000 0.903 486 G HN 0.600 nan 8.290 nan 0.000 0.490 487 N N 1.305 120.081 118.700 0.127 0.000 2.406 487 N HA 0.175 4.915 4.740 0.000 0.000 0.251 487 N C 1.861 177.393 175.510 0.037 0.000 1.069 487 N CA -0.536 52.570 53.050 0.095 0.000 0.947 487 N CB 0.760 39.295 38.487 0.081 0.000 1.111 487 N HN 0.405 nan 8.380 nan 0.000 0.497 488 M N 3.273 122.887 119.600 0.024 0.000 2.144 488 M HA -0.199 4.281 4.480 0.000 0.000 0.260 488 M C 1.536 177.837 176.300 0.001 0.000 1.067 488 M CA 1.243 56.541 55.300 -0.003 0.000 1.095 488 M CB -0.591 32.009 32.600 -0.001 0.000 1.365 488 M HN 0.538 nan 8.290 nan 0.000 0.406 489 I N 0.353 120.932 120.570 0.015 0.000 2.233 489 I HA -0.219 3.951 4.170 0.000 0.000 0.243 489 I C 1.854 177.976 176.117 0.008 0.000 1.093 489 I CA 1.263 62.570 61.300 0.011 0.000 1.380 489 I CB -1.496 36.514 38.000 0.017 0.000 1.067 489 I HN 0.264 nan 8.210 nan 0.000 0.413 490 D N 0.701 121.109 120.400 0.014 0.000 2.263 490 D HA -0.147 4.493 4.640 0.000 0.000 0.208 490 D C 2.090 178.391 176.300 0.002 0.000 0.971 490 D CA 1.021 55.028 54.000 0.011 0.000 0.867 490 D CB -0.043 40.769 40.800 0.019 0.000 0.929 490 D HN 0.384 nan 8.370 nan 0.000 0.492 491 M N -0.694 118.903 119.600 -0.004 0.000 2.561 491 M HA 0.153 4.633 4.480 0.000 0.000 0.238 491 M C 1.110 177.398 176.300 -0.020 0.000 1.131 491 M CA 0.386 55.675 55.300 -0.019 0.000 1.046 491 M CB 0.513 33.092 32.600 -0.035 0.000 1.532 491 M HN -0.005 nan 8.290 nan 0.000 0.497 492 G N 2.350 111.143 108.800 -0.012 0.000 2.198 492 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 492 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 492 G C 0.075 174.966 174.900 -0.014 0.000 1.025 492 G CA -0.137 44.957 45.100 -0.010 0.000 0.769 492 G HN 0.562 nan 8.290 nan 0.000 0.507 493 I N 1.415 121.975 120.570 -0.017 0.000 2.243 493 I HA 0.321 4.491 4.170 0.000 0.000 0.289 493 I C 0.646 176.757 176.117 -0.010 0.000 1.140 493 I CA -0.312 60.976 61.300 -0.020 0.000 1.289 493 I CB 0.001 37.981 38.000 -0.033 0.000 1.498 493 I HN 0.041 nan 8.210 nan 0.000 0.561 494 L N 3.400 124.620 121.223 -0.005 0.000 2.325 494 L HA 0.599 4.939 4.340 0.000 0.000 0.278 494 L C -0.728 176.144 176.870 0.002 0.000 1.023 494 L CA -0.876 53.964 54.840 0.000 0.000 0.811 494 L CB 1.330 43.391 42.059 0.003 0.000 1.249 494 L HN 0.239 nan 8.230 nan 0.000 0.431 495 D N 2.961 123.364 120.400 0.004 0.000 2.408 495 D HA 0.293 4.933 4.640 0.000 0.000 0.243 495 D C -2.458 173.846 176.300 0.007 0.000 1.075 495 D CA -1.458 52.546 54.000 0.005 0.000 0.832 495 D CB 1.880 42.683 40.800 0.004 0.000 1.162 495 D HN 0.269 nan 8.370 nan 0.000 0.515 496 P HA -0.043 nan 4.420 nan 0.000 0.260 496 P C 0.842 178.146 177.300 0.007 0.000 1.207 496 P CA 0.015 63.122 63.100 0.011 0.000 0.780 496 P CB 0.694 32.406 31.700 0.019 0.000 0.789 497 T N 3.538 118.094 114.554 0.004 0.000 2.602 497 T HA -0.274 4.076 4.350 0.000 0.000 0.264 497 T C 1.670 176.366 174.700 -0.007 0.000 1.085 497 T CA 2.207 64.306 62.100 -0.001 0.000 1.164 497 T CB -0.522 68.345 68.868 -0.001 0.000 0.860 497 T HN 0.518 nan 8.240 nan 0.000 0.442 498 K N 0.768 121.166 120.400 -0.004 0.000 2.127 498 K HA -0.184 4.136 4.320 0.000 0.000 0.208 498 K C 2.369 178.960 176.600 -0.015 0.000 1.047 498 K CA 1.946 58.227 56.287 -0.010 0.000 0.927 498 K CB -0.371 32.132 32.500 0.004 0.000 0.716 498 K HN 0.462 nan 8.250 nan 0.000 0.450 499 V N -1.619 118.295 119.914 -0.000 0.000 2.283 499 V HA -0.158 3.962 4.120 0.000 0.000 0.243 499 V C 1.932 178.019 176.094 -0.011 0.000 1.039 499 V CA 2.109 64.412 62.300 0.004 0.000 1.016 499 V CB -1.231 30.602 31.823 0.017 0.000 0.650 499 V HN 0.261 nan 8.190 nan 0.000 0.449 500 T N 0.625 115.173 114.554 -0.010 0.000 2.685 500 T HA -0.258 4.092 4.350 0.000 0.000 0.268 500 T C 2.081 176.761 174.700 -0.033 0.000 1.034 500 T CA 2.380 64.472 62.100 -0.014 0.000 1.149 500 T CB -0.511 68.352 68.868 -0.009 0.000 0.860 500 T HN 0.528 nan 8.240 nan 0.000 0.449 501 R N 0.921 121.393 120.500 -0.048 0.000 2.073 501 R HA -0.013 4.327 4.340 0.000 0.000 0.229 501 R C 2.536 178.748 176.300 -0.146 0.000 1.120 501 R CA 1.571 57.623 56.100 -0.079 0.000 0.967 501 R CB -0.622 29.634 30.300 -0.073 0.000 0.862 501 R HN 0.332 nan 8.270 nan 0.000 0.436 502 S N 0.941 116.539 115.700 -0.169 0.000 2.368 502 S HA -0.098 4.372 4.470 0.000 0.000 0.225 502 S C 2.085 176.537 174.600 -0.247 0.000 1.030 502 S CA 1.203 59.194 58.200 -0.349 0.000 0.999 502 S CB -0.302 62.775 63.200 -0.206 0.000 0.844 502 S HN 0.545 nan 8.310 nan 0.000 0.459 503 A N 2.121 124.906 122.820 -0.059 0.000 1.892 503 A HA -0.097 4.223 4.320 0.000 0.000 0.218 503 A C 2.112 179.695 177.584 -0.001 0.000 1.188 503 A CA 1.391 53.439 52.037 0.017 0.000 0.631 503 A CB -0.880 18.131 19.000 0.019 0.000 0.822 503 A HN 0.441 nan 8.150 nan 0.000 0.447 504 L N -0.234 120.967 121.223 -0.037 0.000 2.017 504 L HA -0.226 4.114 4.340 0.000 0.000 0.208 504 L C 2.534 179.383 176.870 -0.035 0.000 1.073 504 L CA 2.485 57.309 54.840 -0.027 0.000 0.745 504 L CB -1.260 40.780 42.059 -0.032 0.000 0.894 504 L HN 0.574 nan 8.230 nan 0.000 0.432 505 Q N -1.010 118.727 119.800 -0.106 0.000 1.967 505 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 505 Q C 2.118 178.115 176.000 -0.005 0.000 0.985 505 Q CA 1.982 57.713 55.803 -0.119 0.000 0.839 505 Q CB -0.455 28.113 28.738 -0.283 0.000 0.906 505 Q HN 0.428 nan 8.270 nan 0.000 0.423 506 Y N 0.595 120.897 120.300 0.004 0.000 2.151 506 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 506 Y C 2.438 178.339 175.900 0.003 0.000 1.166 506 Y CA 0.789 58.891 58.100 0.003 0.000 1.163 506 Y CB -1.213 37.248 38.460 0.002 0.000 0.974 506 Y HN 0.191 nan 8.280 nan 0.000 0.511 507 A N 0.145 123.059 122.820 0.157 0.000 1.841 507 A HA -0.169 4.151 4.320 0.000 0.000 0.216 507 A C 2.581 180.204 177.584 0.065 0.000 1.199 507 A CA 2.531 54.620 52.037 0.088 0.000 0.621 507 A CB -1.398 17.635 19.000 0.056 0.000 0.835 507 A HN 0.397 nan 8.150 nan 0.000 0.445 508 A N -0.958 121.892 122.820 0.050 0.000 1.883 508 A HA -0.161 4.159 4.320 0.000 0.000 0.217 508 A C 2.473 180.085 177.584 0.047 0.000 1.186 508 A CA 2.440 54.500 52.037 0.037 0.000 0.624 508 A CB -1.262 17.751 19.000 0.022 0.000 0.822 508 A HN 0.682 nan 8.150 nan 0.000 0.444 509 S N -0.855 114.886 115.700 0.068 0.000 2.400 509 S HA -0.225 4.245 4.470 0.000 0.000 0.234 509 S C 1.916 176.550 174.600 0.056 0.000 1.049 509 S CA 2.651 60.895 58.200 0.073 0.000 1.039 509 S CB -0.761 62.515 63.200 0.126 0.000 0.856 509 S HN 1.052 nan 8.310 nan 0.000 0.465 510 V N -0.892 119.055 119.914 0.055 0.000 2.403 510 V HA 0.386 4.506 4.120 0.000 0.000 0.239 510 V C 2.534 178.645 176.094 0.029 0.000 1.041 510 V CA 1.026 63.347 62.300 0.036 0.000 1.051 510 V CB -1.577 30.263 31.823 0.029 0.000 0.704 510 V HN 0.417 nan 8.190 nan 0.000 0.472 511 A N 1.729 124.568 122.820 0.031 0.000 1.909 511 A HA -0.188 4.132 4.320 0.000 0.000 0.221 511 A C 2.431 180.028 177.584 0.022 0.000 1.223 511 A CA 3.222 55.274 52.037 0.025 0.000 0.658 511 A CB -1.829 17.186 19.000 0.025 0.000 0.831 511 A HN 0.948 nan 8.150 nan 0.000 0.462 512 G N -0.435 108.379 108.800 0.024 0.000 2.631 512 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 512 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 512 G C 1.578 176.490 174.900 0.019 0.000 1.214 512 G CA 1.326 46.438 45.100 0.021 0.000 0.785 512 G HN 0.476 nan 8.290 nan 0.000 0.596 513 L N -0.491 120.745 121.223 0.020 0.000 1.970 513 L HA -0.130 4.210 4.340 0.000 0.000 0.212 513 L C 3.014 179.894 176.870 0.017 0.000 1.071 513 L CA 1.741 56.591 54.840 0.018 0.000 0.751 513 L CB -0.394 41.675 42.059 0.017 0.000 0.889 513 L HN 0.266 nan 8.230 nan 0.000 0.432 514 M N 0.018 119.629 119.600 0.017 0.000 2.103 514 M HA -0.285 4.195 4.480 0.000 0.000 0.255 514 M C 2.053 178.362 176.300 0.016 0.000 1.074 514 M CA 2.066 57.376 55.300 0.017 0.000 1.090 514 M CB -0.363 32.248 32.600 0.018 0.000 1.325 514 M HN 0.376 nan 8.290 nan 0.000 0.403 515 I N -2.211 118.368 120.570 0.016 0.000 3.334 515 I HA -0.036 4.134 4.170 0.000 0.000 0.282 515 I C 1.005 177.131 176.117 0.015 0.000 1.313 515 I CA 1.192 62.501 61.300 0.014 0.000 1.396 515 I CB -0.816 37.192 38.000 0.014 0.000 1.054 515 I HN 0.271 nan 8.210 nan 0.000 0.495 516 T N -2.263 112.300 114.554 0.015 0.000 3.214 516 T HA 0.242 4.592 4.350 0.000 0.000 0.264 516 T C 0.517 175.227 174.700 0.017 0.000 1.012 516 T CA -0.371 61.738 62.100 0.016 0.000 0.901 516 T CB -0.670 68.208 68.868 0.016 0.000 1.070 516 T HN 0.216 nan 8.240 nan 0.000 0.561 517 T N 2.264 116.827 114.554 0.016 0.000 2.884 517 T HA 0.354 4.704 4.350 0.000 0.000 0.298 517 T C 0.708 175.418 174.700 0.018 0.000 0.998 517 T CA -0.326 61.782 62.100 0.013 0.000 1.124 517 T CB 1.735 70.610 68.868 0.011 0.000 0.931 517 T HN 0.310 nan 8.240 nan 0.000 0.531 518 E N 0.253 120.466 120.200 0.022 0.000 2.536 518 E HA 0.216 4.566 4.350 0.000 0.000 0.220 518 E C -0.186 176.444 176.600 0.049 0.000 0.876 518 E CA -0.140 56.290 56.400 0.051 0.000 1.190 518 E CB 0.585 30.328 29.700 0.072 0.000 1.191 518 E HN 0.645 nan 8.360 nan 0.000 0.557 519 C N 0.222 119.501 119.300 -0.035 0.000 3.086 519 C HA 0.801 5.261 4.460 0.000 0.000 0.311 519 C C -1.717 173.182 174.990 -0.151 0.000 1.260 519 C CA -0.632 58.265 59.018 -0.203 0.000 1.426 519 C CB 0.700 28.229 27.740 -0.351 0.000 1.826 519 C HN 0.312 nan 8.230 nan 0.000 0.474 520 M N 4.203 123.697 119.600 -0.178 0.000 2.378 520 M HA 0.594 5.074 4.480 0.000 0.000 0.289 520 M C -1.186 175.171 176.300 0.094 0.000 1.136 520 M CA -0.460 54.849 55.300 0.016 0.000 0.917 520 M CB 2.176 34.879 32.600 0.171 0.000 1.669 520 M HN 0.436 nan 8.290 nan 0.000 0.461 521 V N 0.478 120.428 119.914 0.060 0.000 2.769 521 V HA 0.955 5.075 4.120 0.000 0.000 0.312 521 V C -0.283 175.787 176.094 -0.040 0.000 1.061 521 V CA -0.488 61.833 62.300 0.035 0.000 0.931 521 V CB 2.064 33.871 31.823 -0.026 0.000 1.010 521 V HN 0.967 nan 8.190 nan 0.000 0.433 522 T N 1.079 115.568 114.554 -0.108 0.000 2.677 522 T HA 0.334 4.684 4.350 0.000 0.000 0.305 522 T C -1.738 172.859 174.700 -0.170 0.000 1.569 522 T CA -0.523 61.451 62.100 -0.210 0.000 0.984 522 T CB 1.751 70.349 68.868 -0.449 0.000 1.629 522 T HN 0.718 nan 8.240 nan 0.000 0.494 523 D N 0.843 121.146 120.400 -0.162 0.000 2.377 523 D HA 0.502 5.142 4.640 0.000 0.000 0.245 523 D C 0.075 176.307 176.300 -0.112 0.000 1.196 523 D CA -0.210 53.726 54.000 -0.106 0.000 0.962 523 D CB 0.387 41.136 40.800 -0.084 0.000 1.127 523 D HN 0.411 nan 8.370 nan 0.000 0.471 524 L N 1.825 123.013 121.223 -0.058 0.000 2.395 524 L HA 0.252 4.592 4.340 0.000 0.000 0.269 524 L C -1.413 175.434 176.870 -0.038 0.000 1.133 524 L CA -1.557 53.263 54.840 -0.034 0.000 0.812 524 L CB 0.491 42.547 42.059 -0.006 0.000 1.125 524 L HN 0.338 nan 8.230 nan 0.000 0.452 525 P HA 0.066 nan 4.420 nan 0.000 0.248 525 P C -0.446 176.846 177.300 -0.012 0.000 1.553 525 P CA 0.651 63.740 63.100 -0.018 0.000 0.901 525 P CB -0.300 31.402 31.700 0.003 0.000 1.816 526 K N 0.000 120.390 120.400 -0.017 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543